Two-color above-threshold and two-photon sequential double ionization beyond the dipole approximation

NASA Astrophysics Data System (ADS)

Grum-Grzhimailo, A. N.; Gryzlova, E. V.; Kuzmina, E. I.; Chetverkina, A. S.; Strakhova, S. I.

2015-04-01

Two nonlinear atomic photoprocesses are theoretically considered with the emphasis on the photoelectron angular distributions and their modifications due to violation of the dipole approximation: sequential two-photon double ionization and two-color above threshold ionization. These reactions are now accessible with X-ray free electron lasers. Both processes are exemplified by the ionization of krypton: from the 4p shell in the sequential two-photon double ionization and from the 2s shell in the two-color above-threshold ionization, which are compared to the Ar(3p) and Ne(1s) ionization, respectively. Noticeable nondipole effects are predicted.

Electron ionization of SiCl4

NASA Astrophysics Data System (ADS)

King, Simon J.; Price, Stephen D.

2011-02-01

Relative partial ionization cross sections (PICS) for the formation of fragment ions following electron ionization of SiCl4, in the electron energy range 30-200 eV, have been determined using time-of-flight mass spectrometry coupled with an ion coincidence technique. By this method, the contributions to the yield of each fragment ion from dissociative single, double, and triple ionization, are distinguished. These yields are quantified in the form of relative precursor-specific PICS, which are reported here for the first time for SiCl4. For the formation of singly charged ionic fragments, the low-energy maxima appearing in the PICS curves are due to contributions from single ionization involving predominantly indirect ionization processes, while contributions to the yields of these ions at higher electron energies are often dominated by dissociative double ionization. Our data, in the reduced form of relative PICS, are shown to be in good agreement with a previous determination of the PICS of SiCl4. Only for the formation of doubly charged fragment ions are the current relative PICS values lower than those measured in a previous study, although both datasets agree within combined error limits. The relative PICS data presented here include the first quantitative measurements of the formation of Cl2+ fragment ions and of the formation of ion pairs via dissociative double ionization. The peaks appearing in the 2D ion coincidence data are analyzed to provide further information concerning the mechanism and energetics of the charge-separating dissociations of SiCl42+. The lowest energy dicationic precursor state, leading to SiCl3+ + Cl+ formation, lies 27.4 ± 0.3 eV above the ground state of SiCl4 and is in close agreement with a calculated value of the adiabatic double ionization energy (27.3 eV).

Electron ionization of SiCl4.

PubMed

King, Simon J; Price, Stephen D

2011-02-21

Relative partial ionization cross sections (PICS) for the formation of fragment ions following electron ionization of SiCl(4), in the electron energy range 30-200 eV, have been determined using time-of-flight mass spectrometry coupled with an ion coincidence technique. By this method, the contributions to the yield of each fragment ion from dissociative single, double, and triple ionization, are distinguished. These yields are quantified in the form of relative precursor-specific PICS, which are reported here for the first time for SiCl(4). For the formation of singly charged ionic fragments, the low-energy maxima appearing in the PICS curves are due to contributions from single ionization involving predominantly indirect ionization processes, while contributions to the yields of these ions at higher electron energies are often dominated by dissociative double ionization. Our data, in the reduced form of relative PICS, are shown to be in good agreement with a previous determination of the PICS of SiCl(4). Only for the formation of doubly charged fragment ions are the current relative PICS values lower than those measured in a previous study, although both datasets agree within combined error limits. The relative PICS data presented here include the first quantitative measurements of the formation of Cl(2) (+) fragment ions and of the formation of ion pairs via dissociative double ionization. The peaks appearing in the 2D ion coincidence data are analyzed to provide further information concerning the mechanism and energetics of the charge-separating dissociations of SiCl(4) (2+). The lowest energy dicationic precursor state, leading to SiCl(3) (+) + Cl(+) formation, lies 27.4 ± 0.3 eV above the ground state of SiCl(4) and is in close agreement with a calculated value of the adiabatic double ionization energy (27.3 eV).

State-resolved three-dimensional electron-momentum correlation in nonsequential double ionization of benzene

NASA Astrophysics Data System (ADS)

Winney, Alexander H.; Lin, Yun Fei; Lee, Suk Kyoung; Adhikari, Pradip; Li, Wen

2016-03-01

We report state-resolved electron-momentum correlation measurement of strong-field nonsequential double ionization in benzene. With a novel coincidence detection apparatus, highly efficient triple coincidence (electron-electron dication) and quadruple coincidence (electron-electron-cation-cation) are used to resolve the final ionic states and to characterize three-dimensional (3D) electron-momentum correlation. The primary states associated with dissociative and nondissociative dications are assigned. A 3D momentum anticorrelation is observed for the electrons in coincidence with dissociative benzene dication states whereas such a correlation is absent for nondissociative dication states.

Enhanced one-photon double ionization of atoms and molecules in an environment of different species.

PubMed

Stumpf, V; Kryzhevoi, N V; Gokhberg, K; Cederbaum, L S

2014-05-16

The correlated nature of electronic states in atoms and molecules is manifested in the simultaneous emission of two electrons after absorption of a single photon close to the respective threshold. Numerous observations in atoms and small molecules demonstrate that the double ionization efficiency close to threshold is rather small. In this Letter we show that this efficiency can be dramatically enhanced in the environment. To be specific, we concentrate on the case where the species in question has one or several He atoms as neighbors. The enhancement is achieved by an indirect process, where a He atom of the environment absorbs a photon and the resulting He(+) cation is neutralized fast by a process known as electron transfer mediated decay, producing thereby doubly ionized species. The enhancement of the double ionization is demonstrated in detail for the example of the Mg · He cluster. We show that the double ionization cross section of Mg becomes 3 orders of magnitude larger than the respective cross section of the isolated Mg atom. The impact of more neighbors is discussed and the extension to other species and environments is addressed.

Phase-space perspective on the wavelength-dependent electron correlation of strong-field double ionization of Xe

NASA Astrophysics Data System (ADS)

Shao, Yun; Yuan, Zongqiang; Ye, Difa; Fu, Libin; Liu, Ming-Ming; Sun, Xufei; Wu, Chengyin; Liu, Jie; Gong, Qihuang; Liu, Yunquan

2017-12-01

We measure the wavelength-dependent correlated-electron momentum (CEM) spectra of strong-field double ionization of Xe atoms, and observe a significant change from a roughly nonstructured (uncorrelated) pattern at 795 nm to an elongated distribution with V-shaped structure (correlated) at higher wavelengths of 1320 and 1810 nm, pointing to the transition of the ionization dynamics imprinted in the momentum distributions. These observations are well reproduced by a semiclassical model using Green-Sellin-Zachor potential to take into account the screening effect. We show that the momentum distribution of Xe2+ undergoes a bifurcation structure emerging from single-hump to double-hump structure as the laser wavelength increases, which is dramatically different from that of He2+, indicating the complex multi-electron effect. By back analyzing the double ionization trajectories in the phase space (the initial transverse momentum and the laser phase at the tunneling exit) of the first tunneled electrons, we provide deep insight into the physical origin for electron correlation dynamics. We find that a random distribution in phase-space is responsible for a less distinct structured CEM spectrum at shorter wavelength. While increasing the laser wavelength, a topology-invariant pattern in phase-space appears, leading to the clearly visible V-shaped structures.

Electron-electron correlation in two-photon double ionization of He-like ions

NASA Astrophysics Data System (ADS)

Hu, S. X.

2018-01-01

Electron correlation plays a crucial role in quantum many-body physics ranging from molecular bonding and strong-field-induced multielectron ionization, to superconducting in materials. Understanding the dynamic electron correlation in the photoionization of relatively simple quantum three-body systems, such as He and He-like ions, is an important step toward manipulating complex systems through photoinduced processes. Here we have performed ab initio investigations of two-photon double ionization (TPDI) of He and He-like ions (L i+,B e2 + , and C4 +) exposed to intense attosecond x-ray pulses. Results from such fully correlated quantum calculations show weaker and weaker electron correlation effects in TPDI spectra as the ionic charge increases, which is opposite to the intuition that the absolute increase of correlation in the ground state should lead to more equal energy sharing in photoionization. These findings indicate that the final-state electron-electron correlation ultimately determines the energy sharing of the two ionized electrons in TPDI.

Calculation of fully differential cross sections for the near threshold double ionization of helium atoms

NASA Astrophysics Data System (ADS)

Singh, Prithvi; Purohit, Ghanshyam; Dorn, Alexander; Ren, Xueguang; Patidar, Vinod

2016-01-01

Fully differential cross sectional (FDCS) results are reported for the electron-impact double ionization of helium atoms at 5 and 27 eV excess energy. The present attempt to calculate the FDCS in the second Born approximation and treating the postcollision interaction is helpful to analyze the measurements of Ren et al (2008 Phys. Rev. Lett. 101 093201) and Durr et al (2007 Phys. Rev. Lett. 98 193201). The second-order processes and postcollision interaction have been found to be significant in describing the trends of the FDCS. More theoretical effort is required to describe the collision dynamics of electron-impact double ionization of helium atoms at near threshold.

Indirect contributions to electron-impact ionization of Li+ (1 s 2 s S31 ) ions: Role of intermediate double-K -vacancy states

NASA Astrophysics Data System (ADS)

Müller, A.; Borovik, A.; Huber, K.; Schippers, S.; Fursa, D. V.; Bray, I.

2018-02-01

Fine details of the cross section for electron-impact ionization of metastable two-electron Li+(1 s 2 s S31) ions are scrutinized by both experiment and theory. Beyond direct knockoff ionization, indirect ionization mechanisms proceeding via formation of intermediate double-K-vacancy (hollow) states either in a Li+ ion or in a neutral lithium atom and subsequent emission of one or two electrons, respectively, can contribute to the net production of Li2 + ions. The partial cross sections for such contributions are less than 4% of the total single-ionization cross section. The characteristic steps, resonances, and interference phenomena in the indirect ionization contribution are measured with an experimental energy spread of less than 0.9 eV and with a statistical relative uncertainty of the order of 1.7%, requiring a level of statistical uncertainty in the total single-ionization cross section of better than 0.05%. The measurements are accompanied by convergent-close-coupling calculations performed on a fine energy grid. Theory and experiment are in remarkable agreement concerning the fine details of the ionization cross section. Comparison with previous R-matrix results is less favorable.

Correlation-driven charge migration following double ionization and attosecond transient absorption spectroscopy

NASA Astrophysics Data System (ADS)

Hollstein, Maximilian; Santra, Robin; Pfannkuche, Daniela

2017-05-01

We theoretically investigate charge migration following prompt double ionization. Thereby, we extend the concept of correlation-driven charge migration, which was introduced by Cederbaum and coworkers for single ionization [Chem. Phys. Lett. 307, 205 (1999), 10.1016/S0009-2614(99)00508-4], to doubly ionized molecules. This allows us to demonstrate that compared to singly ionized molecules, in multiply ionized molecules, electron dynamics originating from electronic relaxation and correlation are particularly prominent. In addition, we also discuss how these correlation-driven electron dynamics might be evidenced and traced experimentally using attosecond transient absorption spectroscopy. For this purpose, we determine the time-resolved absorption cross section and find that the correlated electron dynamics discussed are reflected in it with exceptionally great detail. Strikingly, we find that features in the cross section can be traced back to electron hole populations and time-dependent partial charges and hence, can be interpreted with surprising ease. By taking advantage of element-specific core-to-valence transitions even atomic spatial resolution can be achieved. Thus, with the theoretical considerations presented, not only do we predict particularly diverse and correlated electron dynamics in molecules to follow prompt multiple ionization but we also identify a promising route towards their experimental investigation.

Density-Functional Theory with Optimized Effective Potential and Self-Interaction Correction for the Double Ionization of He and Be Atoms

NASA Astrophysics Data System (ADS)

Heslar, John; Telnov, Dmitry; Chu, Shih-I.

2012-06-01

We present a self-interaction-free (SIC) time-dependent density-functional theory (TDDFT) for the treatment of double ionization processes of many-electron systems. The method is based on the Krieger-Li-Iafrate (KLI) treatment of the optimized effective potential (OEP) theory and the incorporation of an explicit self-interaction correction (SIC) term. In the framework of the time-dependent density functional theory, we have performed 3D calculations of double ionization of He and Be atoms by strong near-infrared laser fields. We make use of the exchange-correlation potential with the integer discontinuity which improves the description of the double ionization process. We found that proper description of the double ionization requires the TDDFT exchange-correlation potential with the discontinuity with respect to the variation of the spin particle numbers (SPN) only. The results for the intensity-dependent probabilities of single and double ionization are presented and reproduce the famous ``knee'' structure.

Footprints of electron correlation in strong-field double ionization of Kr close to the sequential-ionization regime

NASA Astrophysics Data System (ADS)

Li, Xiaokai; Wang, Chuncheng; Yuan, Zongqiang; Ye, Difa; Ma, Pan; Hu, Wenhui; Luo, Sizuo; Fu, Libin; Ding, Dajun

2017-09-01

By combining kinematically complete measurements and a semiclassical Monte Carlo simulation we study the correlated-electron dynamics in the strong-field double ionization of Kr. Interestingly, we find that, as we step into the sequential-ionization regime, there are still signatures of correlation in the two-electron joint momentum spectrum and, more intriguingly, the scaling law of the high-energy tail is completely different from early predictions on the low-Z atom (He). These experimental observations are well reproduced by our generalized semiclassical model adapting a Green-Sellin-Zachor potential. It is revealed that the competition between the screening effect of inner-shell electrons and the Coulomb focusing of nuclei leads to a non-inverse-square central force, which twists the returned electron trajectory at the vicinity of the parent core and thus significantly increases the probability of hard recollisions between two electrons. Our results might have promising applications ranging from accurately retrieving atomic structures to simulating celestial phenomena in the laboratory.

Signature of charge migration in modulations of double ionization

NASA Astrophysics Data System (ADS)

Mauger, François; Abanador, Paul M.; Bruner, Adam; Sissay, Adonay; Gaarde, Mette B.; Lopata, Kenneth; Schafer, Kenneth J.

2018-04-01

We present a theoretical investigation of charge migration following strong-field ionization in a multielectron system. We study a model homonuclear molecule with two electrons, each restricted to one dimension (1 +1 D ), interacting with a strong, static electric field. We show that in this system charge migration results from the interplay between multiple ionization channels that overlap in space, creating a coherent electron-hole wave packet in the cation. We also find that, in our case, charge migration following the first ionization manifests as a modulation of the subsequent double-ionization signal. We derive a parametrized semiclassical model from the full multielectron system and we discuss the importance of the choice of cation electronic-structure basis for the efficacy of the semiclassical representation. We use the ab initio solution of the full 1 +1 D system as a reference for the qualitative and quantitative results of the parametrized semiclassical model. We discuss the extension of our model to long-wavelength time-dependent fields with full-dimension, many-electron targets.

Temporal correlation and correlated momentum distribution in nonsequential double ionization of Mg by circularly polarized laser fields

NASA Astrophysics Data System (ADS)

Xu, Tong-Tong; Ben, Shuai; Guo, Pei-Ying; Song, Kai-Li; Zhang, Jun; Liu, Xue-Shen

2017-07-01

We use the classical ensemble method to investigate the nonsequential double ionization (NSDI) process of Mg atoms in circularly polarized laser fields at a lower laser intensity. We illustrate the temporal correlation of the ‘side-by-side’ and the ‘back-to-back emission’. It indicates that the two electrons are more likely to be emitted at the same time for the ‘side-by-side emission’. We demonstrate the electronic trajectories from recollision-induced ionization (RII) and recollision-induced excitation with subsequent ionization (RESI). The distribution of the angle between the two ionized directions of the two electrons and the ion momentum distribution show that the anticorrelation distribution is dominant in the RESI mechanism and correlation distribution is dominant in the RII mechanism. The momentum distributions of Mg atoms for the slow and the fast electrons present a similar structure to the experimental observation of Ar atoms by Liu et al 2014 (Phys. Rev. Lett. 112 013003).

Identification of doubly excited states in nonsequential double ionization of Ar in strong laser fields

NASA Astrophysics Data System (ADS)

Chen, Zhangjin; Li, Xiaojin; Sun, Xiaoli; Hao, Xiaolei; Chen, Jing

2017-12-01

We use the semiclassical model to study the intensity dependence of nonsequential double ionization (NSDI) of Ar in short strong laser pulses. The contributions to NSDI through sequential ionization of doubly excited states (SIDE) are identified by tracking the energy trajectories of the two outgoing electrons. The correlated electron momentum distributions are calculated from which the longitudinal momentum distributions of the fast and the slow electrons for the side-by-side and the back-to-back emissions are obtained. The simulated momentum distributions of the fast and the slow electrons for NSDI of Ar by linearly polarized fields with a wavelength of 795 nm at an intensity of 7 × 1013 W cm-2 are in good agreement with the experimental measurements of Liu et al (2014 Phys. Rev. Lett. 112 013003). We demonstrate that the process of double ionization through SIDE dominates NSDI only when the laser intensities are below the recollision threshold; nevertheless, for higher intensities the SIDE process still takes place although the contribution to the NSDI yields decreases rapidly as the intensity increases. It has been found that for SIDE at different intensities, both the correlated electron momentum spectra and the momentum distributions of the fast and the slow electrons remain the same.

STORAGE RING CROSS SECTION MEASUREMENTS FOR ELECTRON IMPACT SINGLE AND DOUBLE IONIZATION OF Fe{sup 13+} AND SINGLE IONIZATION OF Fe{sup 16+} AND Fe{sup 17+}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hahn, M.; Novotny, O.; Savin, D. W.

2013-04-10

We report measurements of electron impact ionization for Fe{sup 13+}, Fe{sup 16+}, and Fe{sup 17+} over collision energies from below threshold to above 3000 eV. The ions were recirculated using an ion storage ring. Data were collected after a sufficiently long time that essentially all the ions had relaxed radiatively to their ground state. For single ionization of Fe{sup 13+}, we find that previous single pass experiments are more than 40% larger than our results. Compared to our work, the theoretical cross section recommended by Arnaud and Raymond is more than 30% larger, while that of Dere is about 20%more » greater. Much of the discrepancy with Dere is due to the theory overestimating the contribution of excitation-autoionization via n = 2 excitations. Double ionization of Fe{sup 13+} is dominated by direct ionization of an inner shell electron accompanied by autoionization of a second electron. Our results for single ionization of Fe{sup 16+} and Fe{sup 17+} agree with theoretical calculations to within the experimental uncertainties.« less

Ionization Cross Sections and Dissociation Channels of DNA Bases by Electron Collisions

NASA Technical Reports Server (NTRS)

Huo, Winifred M.; Dateo, Christopher E.; Fletcher, Graham D.

2004-01-01

Free secondary electrons are the most abundant secondary species in ionizing radiation. Their role in DNA damage, both direct and indirect, is an active area of research. While indirect damage by free radicals, particularly by the hydroxyl radical generated by electron collision with water. is relatively well studied, damage by direct electron collision with DNA is less well understood. Only recently Boudaiffa et al. demonstrated that electrons at energies well below ionization thresholds can induce substantial yields of single- and double-strand breaks in DNA by a resonant, dissociative attachment process. This study attracted renewed interest in electron collisions with DNA, especially in the low energy region. At higher energies ionization becomes important. While Monte Carlo track simulations of radiation damage always include ionization, the probability of dissociative ionization, i.e., simultaneous ionization and dissociation, is ignored. Just like dissociative attachment, dissociative ionization may be an important contributor to double-strand breaks since the radicals and ions produced by dissociative ionization, located in the vicinity of the DNA coil, can readily interact with other parts of the DNA. Using the improved binary-encounter dipole (iBED) formulation, we calculated the ionization cross sections of the four DNA bases, adenine, cytosine, guanine, and thymine, by electrons at energies from threshold to 1 KeV. The present calculation gives cross sections approximately 20% lower than the results by Bemhardt and Paretzke using the Deutsch-Mark and Binary-Encounter-Bethe (BEB) formalisms. The difference is most likely due to the lack of a shielding term in the dipole potential used in the Deutsch-Mark and BEB formalisms. The dissociation channels of ionization for the bases are currently being studied.

Double ionization of neon in elliptically polarized femtosecond laser fields

NASA Astrophysics Data System (ADS)

Kang, HuiPeng; Henrichs, Kevin; Wang, YanLan; Hao, XiaoLei; Eckart, Sebastian; Kunitski, Maksim; Schöffler, Markus; Jahnke, Till; Liu, XiaoJun; Dörner, Reinhard

2018-06-01

We present a joint experimental and theoretical investigation of the correlated electron momentum spectra from strong-field double ionization of neon induced by elliptically polarized laser pulses. A significant asymmetry of the electron momentum distributions along the major polarization axis is reported. This asymmetry depends sensitively on the laser ellipticity. Using a three-dimensional semiclassical model, we attribute this asymmetry pattern to the ellipticity-dependent probability distributions of recollision time. Our work demonstrates that, by simply varying the ellipticity, the correlated electron emission can be two-dimensionally controlled and the recolliding electron trajectories can be steered on a subcycle time scale.

Time-dependent density-functional theory with optimized effective potential and self-interaction correction and derivative discontinuity for the treatment of double ionization of He and Be atoms in intense laser fields

NASA Astrophysics Data System (ADS)

Heslar, John; Telnov, Dmitry A.; Chu, Shih-I.

2013-05-01

We present a self-interaction-free time-dependent density-functional theory (TDDFT) for the treatment of double-ionization processes of many-electron systems. The method is based on the extension of the Krieger-Li-Iafrate (KLI) treatment of the optimized effective potential (OEP) theory and the incorporation of an explicit self-interaction correction (SIC) term. In the framework of the time-dependent density functional theory, we have performed three-dimensional (3D) calculations of double ionization of He and Be atoms by intense near-infrared laser fields. We make use of the exchange-correlation potential with the integer discontinuity which improves the description of the double-ionization process. We found that a proper description of the double ionization requires the TDDFT exchange-correlation potential with the discontinuity with respect to the variation of the total particle number (TPN). The results for the intensity-dependent rates of double ionization of He and Be atoms are presented.

Nonsequential double ionization channels control of Ar with few-cycle elliptically polarized laser pulse by carrier-envelope-phase.

PubMed

Ben, Shuai; Wang, Tian; Xu, Tongtong; Guo, Jing; Liu, Xueshen

2016-04-04

The carrier-envelop-phase (CEP) dependence of nonsequential double ionization (NSDI) of atomic Ar with few-cycle elliptically polarized laser pulse is investigated using 2D classical ensemble method. We distinguish two particular recollision channels in NSDI, which are recollision-impact ionization (RII) and recollision-induced excitation with subsequent ionization (RESI). We separate the RII and RESI channels according to the delay time between recollision and final double ionization. By tracing the history of the trajectories, we find the electron correlation spectra as well as the competition between the two channels are sensitively dependent on the laser field CEP. Finally, control can be achieved between the two channels by varying the CEP.

Nuclear-Recoil Differential Cross Sections for the Two Photon Double Ionization of Helium

NASA Astrophysics Data System (ADS)

Abdel Naby, Shahin; Ciappina, M. F.; Lee, T. G.; Pindzola, M. S.; Colgan, J.

2013-05-01

In support of the reaction microscope measurements at the free-electron laser facility at Hamburg (FLASH), we use the time-dependent close-coupling method (TDCC) to calculate fully differential nuclear-recoil cross sections for the two-photon double ionization of He at photon energy of 44 eV. The total cross section for the double ionization is in good agreement with previous calculations. The nuclear-recoil distribution is in good agreement with the experimental measurements. In contrast to the single-photon double ionization, maximum nuclear recoil triple differential cross section is obtained at small nuclear momenta. This work was supported in part by grants from NSF and US DoE. Computational work was carried out at NERSC in Oakland, California and the National Institute for Computational Sciences in Knoxville, Tennessee.

Origin of double-line structure in nonsequential double ionization by few-cycle laser pulses

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huang, Cheng, E-mail: huangcheng@swu.edu.cn; Zhong, Mingmin; Wu, Zhengmao

2016-07-28

We investigate nonsequential double ionization (NSDI) of molecules by few-cycle laser pulses at the laser intensity of 1.2–1.5 × 10{sup 14} W/cm{sup 2} using the classical ensemble model. The same double-line structure as the lower intensity (1.0 × 10{sup 14} W/cm{sup 2}) is also observed in the correlated electron momentum spectra for 1.2–1.4 × 10{sup 14} W/cm{sup 2}. However, in contrast to the lower intensity where NSDI proceeds only through the recollision-induced double excitation with subsequent ionization (RDESI) mechanism, here, the recollision-induced excitation with subsequent ionization (RESI) mechanism has a more significant contribution to NSDI. This indicates that RDESI ismore » not necessary for the formation of the double-line structure and RESI can give rise to the same type of structure independently. Furthermore, we explore the ultrafast dynamics underlying the formation of the double-line structure in RESI.« less

Low-energy electron-impact single ionization of helium

DOE Office of Scientific and Technical Information (OSTI.GOV)

Colgan, J.; Pindzola, M. S.; Childers, G.

2006-04-15

A study is made of low-energy electron-impact single ionization of ground-state helium. The time-dependent close-coupling method is used to calculate total integral, single differential, double differential, and triple differential ionization cross sections for impact electron energies ranging from 32 to 45 eV. For all quantities, the calculated cross sections are found to be in very good agreement with experiment, and for the triple differential cross sections, good agreement is also found with calculations made using the convergent close-coupling technique.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Watanabe, N.; Takahashi, M.; Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Sendai 980-8577

The double processes of He in electron-impact ionization, single ionization with simultaneous excitation and double ionization, have been studied at large momentum transfer using an energy- and momentum-dispersive binary (e,2e) spectrometer. The experiment has been performed at an impact energy of 2080 eV in the symmetric noncoplanar geometry. In this way we have achieved a large momentum transfer of 9 a.u., a value that has never been realized so far for the study on double ionization. The measured (e,2e) and (e,3-1e) cross sections for transitions to the n=2 excited state of He{sup +} and to doubly ionized He{sup 2+} aremore » presented as normalized intensities relative to that to the n=1 ground state of He{sup +}. The results are compared with first-order plane-wave impulse approximation (PWIA) calculations using various He ground-state wave functions. It is shown that shapes of the momentum-dependent (e,2e) and (e,3-1e) cross sections are well reproduced by the PWIA calculations only when highly correlated wave functions are employed. However, noticeable discrepancies between experiment and theory remain in magnitude for both the double processes, suggesting the importance of higher-order effects under the experimental conditions examined as well as of acquiring more complete knowledge of electron correlation in the target.« less

Electron-Atom Ionization Calculations using Propagating Exterior Complex Scaling

NASA Astrophysics Data System (ADS)

Bartlett, Philip

2007-10-01

The exterior complex scaling method (Science 286 (1999) 2474), pioneered by Rescigno, McCurdy and coworkers, provided highly accurate ab initio solutions for electron-hydrogen collisions by directly solving the time-independent Schr"odinger equation in coordinate space. An extension of this method, propagating exterior complex scaling (PECS), was developed by Bartlett and Stelbovics (J. Phys. B 37 (2004) L69, J. Phys. B 39 (2006) R379) and has been demonstrated to provide computationally efficient and accurate calculations of ionization and scattering cross sections over a large range of energies below, above and near the ionization threshold. An overview of the PECS method for three-body collisions and the computational advantages of its propagation and iterative coupling techniques will be presented along with results of: (1) near-threshold ionization of electron-hydrogen collisions and the Wannier threshold laws, (2) scattering cross section resonances below the ionization threshold, and (3) total and differential cross sections for electron collisions with excited targets and hydrogenic ions from low through to high energies. Recently, the PECS method has been extended to solve four-body collisions using time-independent methods in coordinate space and has initially been applied to the s-wave model for electron-helium collisions. A description of the extensions made to the PECS method to facilitate these significantly more computationally demanding calculations will be given, and results will be presented for elastic, single-excitation, double-excitation, single-ionization and double-ionization collisions.

Bond-rearrangement and ionization mechanisms in the photo-double-ionization of simple hydrocarbons (C 2H 4, C 2H 3F, and 1,1-C 2H 2F 2) near and above threshold

DOE PAGES

Gaire, B.; Gatton, A. S.; Wiegandt, F.; ...

2016-09-14

We have investigated bond-rearrangement driven by photo-double-ionization (PDI) near and above the double ionization threshold in a sequence of carbon-carbon double bonded hydrocarbon molecules: ethylene, fluoroethylene, and 1,1-difluoroethylene. We employ the kinematically complete cold target recoil ion momentum spectroscopy (COLTRIMS) method to resolve all photo-double-ionization events leading to two-ionic fragments. We observe changes in the branching ratios of different dissociative ionization channels depending on the presence of none, one, or two fluorine atoms. The role of the fluorine atom in the bond-rearrangement channels is intriguing as evident by the re-ordering of the threshold energies of the PDI in the fluorinatedmore » molecules. These effects offer a compelling argument that the electronegativity of the fluorine (or the polarity of the molecule) strongly influences the potential energy surfaces of the molcules and drives bond-rearrangement during the dissociation process. The energy sharing and the relative angle between the 3D-momentum vectors of the two electrons provide clear evidence of direct and indirect PDI processes.« less

The concept of quasi-tissue-equivalent nanodosimeter based on the glow peak 5a/5 in LiF:Mg,Ti (TLD-100).

PubMed

Oster, L; Horowitz, Y S; Biderman, S; Haddad, J

2003-12-01

We demonstrate the viability of the concept of using existing molecular nanostructures in thermoluminescent solid-state materials as solid-state nanodosimeters. The concept is based on mimicking radiobiology (specifically the ionization density dependence of double strand breaks in DNA) by using the similar ionization density dependence of simultaneous electron-hole capture in spatially correlated trapping and luminescent centres pairs in the thermoluminescence of LiF:Mg,Ti. This simultaneous electron-hole capture has been shown to lead to ionization density dependence in the relative intensity of peak 5a to peak 5 similar to the ratio of double-strand breaks to single-strand breaks for low energy He ions.

Experimental and theoretical double differential cross sections for electron impact ionization of methane

NASA Astrophysics Data System (ADS)

Yavuz, Murat; Ozer, Zehra Nur; Ulu, Melike; Champion, Christophe; Dogan, Mevlut

2016-04-01

Experimental and theoretical double differential cross sections (DDCSs) for electron-induced ionization of methane (CH4) are here reported for primary energies ranging from 50 eV to 350 eV and ejection angles between 25° and 130°. Experimental DDCSs are compared with theoretical predictions performed within the first Born approximation Coulomb wave. In this model, the initial molecular state is described by using single center wave functions, the incident (scattered) electron being described by a plane wave, while a Coulomb wave function is used for modeling the secondary ejected electron. A fairly good agreement may be observed between theory and experiment with nevertheless an expected systematic overestimation of the theory at low-ejection energies (<50 eV).

Upstream ionization instability associated with a current-free double layer.

PubMed

Aanesland, A; Charles, C; Lieberman, M A; Boswell, R W

2006-08-18

A low frequency instability has been observed using various electrostatic probes in a low-pressure expanding helicon plasma. The instability is associated with the presence of a current-free double layer (DL). The frequency of the instability increases linearly with the potential drop of the DL, and simultaneous measurements show their coexistence. A theory for an upstream ionization instability has been developed, which shows that electrons accelerated through the DL increase the ionization upstream and are responsible for the observed instability. The theory is in good agreement with the experimental results.

Perturbative calculation of two-photon double electron ionization of helium

NASA Astrophysics Data System (ADS)

Ivanov, I. A.; Kheifets, A. S.

2008-05-01

We report the total integrated cross-section (TICS) of two-photon double ionization of helium in the photon energy range from 40 to 54 eV. We compute the TICS in the lowest order perturbation theory (LOPT) using the length and Kramers-Henneberger gauges of the electromagnetic interaction. Our findings indicate that the LOPT gives results for the TICS in agreement with our earlier non-perturbative calculations.

Critical Assessment of Theoretical Methods for Li3+ Collisions with He at Intermediate and High Impact Energies

NASA Astrophysics Data System (ADS)

Belkić, Dževad; Mančev, Ivan; Milojevićb, Nenad

2013-09-01

The total cross sections for the various processes for Li3+-He collisions at intermediate-to-high impact energies are compared with the corresponding theories. The possible reasons for the discrepancies among various theoretical predictions are thoroughly discussed. Special attention has been paid to single and double electron capture, simultaneous transfer and ionization, as well as to single and double ionization.

Ionization Cross Sections and Dissociation Channels of the DNA Sugar-Phosphate Backbone by Electron Collisions

NASA Technical Reports Server (NTRS)

Dateo, Christopher; Huo, Winifred M.; Fletcher, Graham D.

2004-01-01

It has been suggested that the genotoxic effects of ionizing radiation in living cells are not caused by the highly energetic incident radiation, but rather are induced by less energetic secondary species generated, the most abundant of which are free electrons.' The secondary electrons will further react to cause DNA damage via indirect and direct mechanisms. Detailed knowledge of these mechanisms is ultimately important for the development of global models of cellular radiation damage. We are studying one possible mechanism for the formation cf DNA strand breaks involving dissociative ionization of the DNA sugar-phosphate backbone induced by secondary electron co!lisions. We will present ionization cross sections at electron collision energies between threshold and 10 KeV using the improved binary encounter dipole (iBED) formulation' Preliminary results of the possible dissociative ionization pathways will be presented. It is speculated that radical fragments produced from the dissociative ionization can further react, providing a possible mechanism for double strand breaks and base damage.

Partial cross sections of helium satellites at medium photon energies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wehlitz, R.; Sellin, I.A.; Hemmers, O.

1997-04-01

Still of current interest is the important role of single ionization with excitation compared to single ionization alone. The coupling between the electrons and the incoming photon is a single-particle operator. Thus, an excitation in addition to an ionization, leading to a so-called satellite line in a photoelectron spectrum, is entirely due to electron-electron interaction and probes the electron correlation in the ground and final state. Therefore the authors have undertaken the study of the intensity of helium satellites He{sup +}nl (n = 2 - 6) relative to the main photoline (n = 1) as a function of photon energymore » at photon energies well above threshold up to 900 eV. From these results they could calculate the partial cross-sections of the helium satellites. In order to test the consistency of their satellite-to-1s ratios with published double-to-single photoionization ratios, the authors calculated the double-to-single photoionization ratio from their measured ratios using the theoretical energy-distribution curves of Chang and Poe and Le Rouzo and Dal Cappello which proved to be valid for photon energies below 120 eV. These calculated double-to-single ionization ratios agree fairly well with recent ion measurements. In the lower photon energy range the authors ratios agree better with the ratios of Doerner et al. while for higher photon energies the agreement is better with the values of Levin et al.« less

Double Electron Processes in Collisions of Partially Stripped Ions Cq+(q = 1-4) with Helium

NASA Astrophysics Data System (ADS)

Ding, Bao-Wei; Chen, Xi-Meng; Yu, De-Yang; Fu, Hong-Bin; Liu, Zhao-Yuan; Sun, Guang-Zhi; Liu, Yu-Wen; Lu, Yan-Xia; Xie, Jiang-Shan; Du, Juan; Gao, Zhi-Min; Chen, Lin; Cui, Ying; Shao, Jian-Xiong; He, Zi-Feng; Cai, Xiao-Hong

2007-01-01

The multi-electron processes are investigated for 17.9-120 keV/u C1+, 30-323 keV/u C2+, 120-438 keV/u C3+, 287-480 keV/u C4+ incident on a helium target. The cross-section ratios of double electron (DE) process to the total of the single electron (SE) and the double electron process (i.e. SE+DE), the direct double electron (DDI) to the direct single ionization (DSI) as well as the contributions of DDI to DE and of TI to DE are measured using coincidence techniques. The energy and charge state dependences of the measured cross-section ratios are studied and discussed.

Dissociative-ionization cross sections for 12-keV-electron impact on CO{sub 2}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bhatt, Pragya; Singh, Raj; Yadav, Namita

The dissociative ionization of a CO{sub 2} molecule is studied at an electron energy of 12 keV using the multiple ion coincidence imaging technique. The absolute partial ionization cross sections and the precursor-specific absolute partial ionization cross sections of resulting fragment ions are obtained and reported. It is found that {approx}75% of single ionization, 22% of double ionization, and {approx}2% of triple ionization of the parent molecule contribute to the total fragment ion yield; quadruple ionization of CO{sub 2} is found to make a negligibly small contribution. Furthermore, the absolute partial ionization cross sections for ion-pair and ion-triple formation aremore » measured for nine dissociative ionization channels of up to a quadruply ionized CO{sub 2} molecule. In addition, the branching ratios for single-ion, ion-pair, and ion-triple formation are also determined.« less

Cross sections for ionization of tetrahydrofuran by protons at energies between 300 and 3000 keV

NASA Astrophysics Data System (ADS)

Wang, Mingjie; Rudek, Benedikt; Bennett, Daniel; de Vera, Pablo; Bug, Marion; Buhr, Ticia; Baek, Woon Yong; Hilgers, Gerhard; Rabus, Hans

2016-05-01

Double-differential cross sections for ionization of tetrahydrofuran by protons with energies from 300 to 3000 keV were measured at the Physikalisch-Technische Bundesanstalt ion accelerator facility. The electrons emitted at angles between 15∘ and 150∘ relative to the ion-beam direction were detected with an electrostatic hemispherical electron spectrometer. Single-differential and total ionization cross sections have been derived by integration. The experimental results are compared to the semiempirical Hansen-Kocbach-Stolterfoht model as well as to the recently reported method based on the dielectric formalism. The comparison to the latter showed good agreement with experimental data in a broad range of emission angles and energies of secondary electrons. The scaling property of ionization cross sections for tetrahydrofuran was also investigated. Compared to molecules of different size, the ionization cross sections of tetrahydrofuran were found to scale with the number of valence electrons at large impact parameters.

Sequential two-photon double ionization of noble gases by circularly polarized XUV radiation

NASA Astrophysics Data System (ADS)

Gryzlova, E. V.; Grum-Grzhimailo, A. N.; Kuzmina, E. I.; Strakhova, S. I.

2014-10-01

Photoelectron angular distributions (PADs) and angular correlations between two emitted electrons in sequential two-photon double ionization (2PDI) of atoms by circularly polarized radiation are studied theoretically. In particular, the sequential 2PDI of the valence n{{p}6} shell in noble gas atoms (neon, argon, krypton) is analyzed, accounting for the first-order corrections to the dipole approximation. Due to different selection rules in ionization transitions, the circular polarization of photons causes some new features of the cross sections, PADs and angular correlation functions in comparison with the case of linearly polarized photons.

Exploration of the Dissociative Recombination following DNA ionization to DNA+ due to ionizing radiation

NASA Astrophysics Data System (ADS)

Strom, Richard A.; Zimmerly, Andrew T.; Andrianarijaona, Vola M.

2014-05-01

It is known that ionizing radiation generates low-energy secondary electrons, which may interact with the surrounding area, including biomolecules, such as triggering DNA single strand and double strand breaks as demonstrated by Sanche and coworkers (Radiat. Res. 157, 227(2002)). The bio-effects of low-energy electrons are currently a topic of high interest. Most of the studies are dedicated to dissociative electron attachments; however, the area is still mostly unexplored and still not well understood. We are computationally investigating the effect of ionizing radiation on DNA, such as its ionization to DNA+. More specifically, we are exploring the possibility of the dissociative recombination of the temporary DNA+ with one of the low-energy secondary electrons, produced by the ionizing radiation, to be another process of DNA strand breaks. Our preliminary results, which are performed with the binaries of ORCA, will be presented. Authors wish to give special thanks to Pacific Union College Student Senate in Angwin, California, for their financial support.

Coupled Cluster Studies of Ionization Potentials and Electron Affinities of Single-Walled Carbon Nanotubes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Peng, Bo; Govind, Niranjan; Aprà, Edoardo

In this paper we apply equation-of-motion coupled cluster (EOMCC) methods in studies of vertical ionization potentials (IP) and electron affinities (EA) for sin- gled walled carbon nanotubes. EOMCC formulations for ionization potentials and electron affinities employing excitation manifolds spanned by single and double ex- citations (IP/EA-EOMCCSD) are used to study IPs and EAs of nanotubes as a function of nanotube length. Several armchair nanotubes corresponding to C20nH20 models with n = 2 - 6 have been used in benchmark calculations. In agreement with previous studies, we demonstrate that the electronegativity of C20nH20 systems remains, to a large extent, independent ofmore » nanotube length. We also compare IP/EA- EOMCCSD results with those obtained with the coupled cluster models with single and double excitations corrected by perturbative triples, CCSD(T), and density func- tional theory (DFT) using global and range-separated hybrid exchange-correlation functionals.« less

Ultra-low emittance electron beam generation using ionization injection in a plasma beatwave accelerator

NASA Astrophysics Data System (ADS)

Schroeder, Carl; Benedetti, Carlo; Esarey, Eric; Leemans, Wim

2017-10-01

Ultra-low emittance beams can be generated using ionization injection of electrons into a wakefield excited by a plasma beatwave accelerator. This all-optical method of electron beam generation uses three laser pulses of different colors. Two long-wavelength laser pulses, with frequency difference equal to the plasma frequency, resonantly drive a plasma wave without fully ionizing a gas. A short-wavelength injection laser pulse (with a small ponderomotive force and large peak electric field), co-propagating and delayed with respect to the beating long-wavelength lasers, ionizes a fraction of the remaining bound electrons at a trapped wake phase, generating an electron beam that is accelerated in the wakefield. Using the beating of long-wavelength pulses to generate the wakefield enables atomically-bound electrons to remain at low ionization potentials, reducing the required amplitude of the ionization pulse, and, hence, the initial transverse momentum and emittance of the injected electrons. An example is presented using two lines of a CO2 laser to form a plasma beatwave accelerator to drive the wake and a frequency-doubled Ti:Al2O3 laser for ionization injection. Supported by the U.S. Department of Energy under Contract No. DE-AC02-05CH11231.

Quantum interference in laser-induced nonsequential double ionization

NASA Astrophysics Data System (ADS)

Quan, Wei; Hao, XiaoLei; Wang, YanLan; Chen, YongJu; Yu, ShaoGang; Xu, SongPo; Xiao, ZhiLei; Sun, RenPing; Lai, XuanYang; Hu, ShiLin; Liu, MingQing; Shu, Zheng; Wang, XiaoDong; Li, WeiDong; Becker, Wilhelm; Liu, XiaoJun; Chen, Jing

2017-09-01

Quantum interference plays an important role in various intense-laser-driven atomic phenomena, e.g., above-threshold ionization and high-order-harmonic generation, and provides a useful tool in ultrafast imaging of atomic and molecular structure and dynamics. However, it has eluded observation in nonsequential double ionization (NSDI), which serves as an ideal prototype to study electron-electron correlation. Thus far, NSDI usually could be well understood from a semiclassical perspective, where all quantum aspects have been ignored after the first electron has tunneled. Here we perform coincidence measurements for NSDI of xenon subject to laser pulses at 2400 nm. It is found that the intensity dependence of the asymmetry parameter between the yields in the second and fourth quadrants and those in the first and third quadrants of the electron-momentum-correlation distributions exhibits a peculiar fast oscillatory structure, which is beyond the scope of the semiclassical picture. Our theoretical analysis indicates that this oscillation can be attributed to interference between the contributions of different excited states in the recollision-excitation-with-subsequent-ionization channel. Our work demonstrates the significant role of quantum interference in NSDI and may create an additional pathway towards manipulation and imaging of the ultrafast atomic and molecular dynamics in intense laser fields.

Scaling Laws of the Two-Electron Sum-Energy Spectrum in Strong-Field Double Ionization.

PubMed

Ye, Difa; Li, Min; Fu, Libin; Liu, Jie; Gong, Qihuang; Liu, Yunquan; Ullrich, J

2015-09-18

The sum-energy spectrum of two correlated electrons emitted in nonsequential strong-field double ionization (SFDI) of Ar was studied for intensities of 0.3 to 2×10^{14} W/cm^{2}. We find the mean sum energy, the maximum of the distributions as well as the high-energy tail of the scaled (to the ponderomotive energy) spectra increase with decreasing intensity below the recollision threshold (BRT). At higher intensities the spectra collapse into a single distribution. This behavior can be well explained within a semiclassical model providing clear evidence of the importance of multiple recollisions in the BRT regime. Here, ultrafast thermalization between both electrons is found occurring within three optical cycles only and leaving its clear footprint in the sum-energy spectra.

Double ionization of He(1[ital s][sup 2]) and He(1[ital s]2[ital s] [sup 3][ital S]) by a single high-energy photon

DOE Office of Scientific and Technical Information (OSTI.GOV)

Teng, Z.; Shakeshaft, R.

1994-05-01

We have calculated the energy and angular distributions for double ionization of He(1[ital s][sup 2]) and He(1[ital s]2[ital s] [sup 3][ital S]) by one photon, over a range of photon energies up to a few keV. The calculations were based on using a fairly accurate initial-state wave function, determined so as to exactly satisfy the Kato cusp conditions, and a final-state wave function which is a product of three Coulomb wave functions modified by a short-range correction term. There are at least three different mechanisms for double ionization, and each one leaves a mark on the angular distribution. When themore » energies of the two electrons are equal, the contribution of each mechanism to the angular asymmetry parameter can be estimated on theoretical grounds; we compare these estimates with the calculated results to give a further indication of the roles of the various mechanisms. Concerning the shapes of the energy and angular distributions, we find significant differences between double ionization of singlet and triplet helium; in particular, the probability for one high-energy photon to eject two equal-energy electrons from triplet helium nearly vanishes owing to the Pauli exclusion principle and to interference effects resulting from antisymmetrization. In two appendixes we present some details of the integration involved in the calculations.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Müller, Alfred; Bernhardt, Dietrich; Borovik, Alexander

Single, double, and triple photoionization of Ne + ions by single photons have been investigated at the synchrotron radiation source PETRA III in Hamburg, Germany. Absolute cross-sections were measured by employing the photon-ion merged-beams technique. Photon energies were between about 840 and 930 eV, covering the range from the lowest-energy resonances associated with the excitation of one single K-shell electron up to double excitations involving one K- and one L-shell electron, well beyond the K-shell ionization threshold. Also, photoionization of neutral Ne was investigated just below the K edge. The chosen photon energy bandwidths were between 32 and 500 meV,more » facilitating the determination of natural line widths. The uncertainty of the energy scale is estimated to be 0.2 eV. For comparison with existing theoretical calculations, astrophysically relevant photoabsorption cross-sections were inferred by summing the measured partial ionization channels. Discussion of the observed resonances in the different final ionization channels reveals the presence of complex Auger-decay mechanisms. The ejection of three electrons from the lowest K-shell-excited Ne + (1s2s 2p 6 2S 1/2) level, for example, requires cooperative interaction of at least four electrons.« less

Nonlinear Dichroism in Back-to-Back Double Ionization of He by an Intense Elliptically Polarized Few-Cycle Extreme Ultraviolet Pulse.

PubMed

Ngoko Djiokap, J M; Manakov, N L; Meremianin, A V; Hu, S X; Madsen, L B; Starace, Anthony F

2014-11-28

Control of double ionization of He by means of the polarization and carrier-envelope phase (CEP) of an intense, few-cycle extreme ultraviolet (XUV) pulse is demonstrated numerically by solving the six-dimensional two-electron, time-dependent Schrödinger equation for He interacting with an elliptically polarized XUV pulse. Guided by perturbation theory (PT), we predict the existence of a nonlinear dichroic effect (∝I^{3/2}) that is sensitive to the CEP, ellipticity, peak intensity I, and temporal duration of the pulse. This dichroic effect (i.e., the difference of the two-electron angular distributions for opposite helicities of the ionizing XUV pulse) originates from interference of first- and second-order PT amplitudes, allowing one to probe and control S- and D-wave channels of the two-electron continuum. We show that the back-to-back in-plane geometry with unequal energy sharing is an ideal one for observing this dichroic effect that occurs only for an elliptically polarized, few-cycle attosecond pulse.

The hydrogen molecule under the reaction microscope: single photon double ionization at maximum cross section and threshold (doubly differential cross sections)

DOE PAGES

Weber, Thorsten; Foucar, Lutz; Jahnke, Till; ...

2017-07-07

In this paper, we studied the photo double ionization of hydrogen molecules in the threshold region (50 eV) and the complete photo fragmentation of deuterium molecules at maximum cross section (75 eV) with single photons (linearly polarized) from the Advanced Light Source, using the reaction microscope imaging technique. The 3D-momentum vectors of two recoiling ions and up to two electrons were measured in coincidence. We present the kinetic energy sharing between the electrons and ions, the relative electron momenta, the azimuthal and polar angular distributions of the electrons in the body-fixed frame. We also present the dependency of the kineticmore » energy release in the Coulomb explosion of the two nuclei on the electron emission patterns. We find that the electronic emission in the body-fixed frame is strongly influenced by the orientation of the molecular axis to the polarization vector and the internuclear distance as well as the electronic energy sharing. Finally, traces of a possible breakdown of the Born–Oppenheimer approximation are observed near threshold.« less

The hydrogen molecule under the reaction microscope: single photon double ionization at maximum cross section and threshold (doubly differential cross sections)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Weber, Thorsten; Foucar, Lutz; Jahnke, Till

In this paper, we studied the photo double ionization of hydrogen molecules in the threshold region (50 eV) and the complete photo fragmentation of deuterium molecules at maximum cross section (75 eV) with single photons (linearly polarized) from the Advanced Light Source, using the reaction microscope imaging technique. The 3D-momentum vectors of two recoiling ions and up to two electrons were measured in coincidence. We present the kinetic energy sharing between the electrons and ions, the relative electron momenta, the azimuthal and polar angular distributions of the electrons in the body-fixed frame. We also present the dependency of the kineticmore » energy release in the Coulomb explosion of the two nuclei on the electron emission patterns. We find that the electronic emission in the body-fixed frame is strongly influenced by the orientation of the molecular axis to the polarization vector and the internuclear distance as well as the electronic energy sharing. Finally, traces of a possible breakdown of the Born–Oppenheimer approximation are observed near threshold.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Baalrud, S. D.; Lafleur, T.; Boswell, R. W.

Current-free double layers of the type reported in plasmas in the presence of an expanding magnetic field [C. Charles and R. W. Boswell, Appl. Phys. Lett. 82, 1356 (2003)] are modeled theoretically and with particle-in-cell/Monte Carlo simulations. Emphasis is placed on determining what mechanisms affect the electron velocity distribution function (EVDF) and how the EVDF influences the double layer. A theoretical model is developed based on depletion of electrons in certain velocity intervals due to wall losses and repletion of these intervals due to ionization and elastic electron scattering. This model is used to predict the range of neutral pressuresmore » over which a double layer can form and the electrostatic potential drop of the double layer. These predictions are shown to compare well with simulation results.« less

Chapter 6 Quantum Mechanical Methods for Loss-Excitation and Loss-Ionization in Fast Ion-Atom Collisions

NASA Astrophysics Data System (ADS)

Belkic, Dzevad

Inelastic collisions between bare nuclei and hydrogen-like atomic systems are characterized by three main channels: electron capture, excitation, and ionization. Capture dominates at lower energies, whereas excitation and ionization prevail at higher impact energies. At intermediate energies and in the region of resonant scattering near the Massey peak, all three channels become competitive. For dressed or clothed nuclei possessing electrons, such as hydrogen-like ions, several additional channels open up, including electron loss (projectile ionization or stripping). The most important aspect of electron loss is the competition between one- and two-electron processes. Here, in a typical one-electron process, the projectile emits an electron, whereas the target final and initial states are the same. A prototype of double-electron transitions in loss processes is projectile ionization accompanied with an alteration of the target state. In such a two-electron process, the target could be excited or ionized. The relative importance of these loss channels with single- and double-electron transitions involving collisions of dressed projectiles with atomic systems is also strongly dependent on the value of the impact energy. Moreover, impact energies determine which theoretical method is likely to be more appropriate to use for predictions of cross sections. At low energies, an expansion of total scattering wave functions in terms of molecular orbitals is adequate. This is because the projectile spends considerable time in the vicinity of the target, and as a result, a compound system comprised of the projectile and the target can be formed in a metastable molecular state which is prone to decay. At high energies, a perturbation series expansion is more appropriate in terms of powers of interaction potentials. In the intermediate energy region, atomic orbitals are often used with success while expanding the total scattering wave functions. The present work is focused on quantum mechanical perturbation theories applied to electron loss collisions involving two hydrogen-like atoms. Both the one- and two-electron transitions (target unaffected by collision, as well as loss-ionization) are thoroughly examined in various intervals of impact energies varying from the threshold via the Massey peak to the Bethe asymptotic region. Systematics are established for the fast, simple, and accurate computations of cross sections for loss-excitation and loss-ionization accounting for the entire spectra of all four particles, including two free electrons and two free protons. The expounded algorithmic strategy of quantum mechanical methodologies is of great importance for wide applications to particle transport physics, especially in fusion research and hadron radiotherapy. This should advantageously replace the current overwhelming tendency in these fields for using phenomenological modeling with artificial functions extracted from fitting the existing experimental/theoretical data bases for cross sections.

Cisplatin enhances the formation of DNA single- and double-strand breaks by hydrated electrons and hydroxyl radicals.

PubMed

Rezaee, Mohammad; Sanche, Léon; Hunting, Darel J

2013-03-01

The synergistic interaction of cisplatin with ionizing radiation is the clinical rationale for the treatment of several cancers including head and neck, cervical and lung cancer. The underlying molecular mechanism of the synergy has not yet been identified, although both DNA damage and repair processes are likely involved. Here, we investigate the indirect effect of γ rays on strand break formation in a supercoiled plasmid DNA (pGEM-3Zf-) covalently modified by cisplatin. The yields of single- and double-strand breaks were determined by irradiation of DNA and cisplatin/DNA samples with (60)Co γ rays under four different scavenging conditions to examine the involvement of hydrated electrons and hydroxyl radicals in inducing the DNA damage. At 5 mM tris in an N2 atmosphere, the presence of an average of two cisplatins per plasmid increased the yields of single- and double-strand breaks by factors of 1.9 and 2.2, respectively, relative to the irradiated unmodified DNA samples. Given that each plasmid of 3,200 base pairs contained an average of two cisplatins, this represents an increase in radiosensitivity of 3,200-fold on a per base pair basis. When hydrated electrons were scavenged by saturating the samples with N2O, these enhancement factors decreased to 1.5 and 1.2, respectively, for single- and double-strand breaks. When hydroxyl radicals were scavenged using 200 mM tris, the respective enhancement factors were 1.2 and 1.6 for single- and double-strand breaks, respectively. Furthermore, no enhancement in DNA damage by cisplatin was observed after scavenging both hydroxyl radicals and hydrated electrons. These findings show that hydrated electrons can induce both single- and double-strand breaks in the platinated DNA, but not in unmodified DNA. In addition, cisplatin modification is clearly an extremely efficient means of increasing the formation of both single- and double-strand breaks by the hydrated electrons and hydroxyl radicals created by ionizing radiation.

Covariance mapping of two-photon double core hole states in C 2 H 2 and C 2 H 6 produced by an x-ray free electron laser

DOE PAGES

Mucke, M; Zhaunerchyk, V; Frasinski, L J; ...

2015-07-01

Few-photon ionization and relaxation processes in acetylene (C 2H 2) and ethane (C 2H 6) were investigated at the linac coherent light source x-ray free electron laser (FEL) at SLAC, Stanford using a highly efficient multi-particle correlation spectroscopy technique based on a magnetic bottle. The analysis method of covariance mapping has been applied and enhanced, allowing us to identify electron pairs associated with double core hole (DCH) production and competing multiple ionization processes including Auger decay sequences. The experimental technique and the analysis procedure are discussed in the light of earlier investigations of DCH studies carried out at the samemore » FEL and at third generation synchrotron radiation sources. In particular, we demonstrate the capability of the covariance mapping technique to disentangle the formation of molecular DCH states which is barely feasible with conventional electron spectroscopy methods.« less

Ultrafast Charge Transfer of a Valence Double Hole in Glycine Driven Exclusively by Nuclear Motion

NASA Astrophysics Data System (ADS)

Li, Zheng; Vendrell, Oriol; Santra, Robin

2015-10-01

We explore theoretically the ultrafast transfer of a double electron hole between the functional groups of glycine after K -shell ionization and subsequent Auger decay. Although a large energy gap of about 15 eV initially exists between the two electronic states involved and coherent electronic dynamics play no role in the hole transfer, we find that the double hole is transferred within 3 to 4 fs between both functional ends of the glycine molecule driven solely by specific nuclear displacements and non-Born-Oppenheimer effects. The nuclear displacements along specific vibrational modes are of the order of 15% of a typical chemical bond between carbon, oxygen, and nitrogen atoms and about 30% for bonds involving hydrogen atoms. The time required for the hole transfer corresponds to less than half a vibrational period of the involved nuclear modes. This finding challenges the common wisdom that nuclear dynamics of the molecular skeleton are unimportant for charge transfer processes at the few-femtosecond time scale and shows that they can even play a prominent role. It also indicates that in x-ray imaging experiments, in which ionization is unavoidable, valence electron redistribution caused by nuclear dynamics might be much faster than previously anticipated. Thus, non-Born-Oppenheimer effects may affect the apparent electron densities extracted from such measurements.

Ultrafast Charge Transfer of a Valence Double Hole in Glycine Driven Exclusively by Nuclear Motion.

PubMed

Li, Zheng; Vendrell, Oriol; Santra, Robin

2015-10-02

We explore theoretically the ultrafast transfer of a double electron hole between the functional groups of glycine after K-shell ionization and subsequent Auger decay. Although a large energy gap of about 15 eV initially exists between the two electronic states involved and coherent electronic dynamics play no role in the hole transfer, we find that the double hole is transferred within 3 to 4 fs between both functional ends of the glycine molecule driven solely by specific nuclear displacements and non-Born-Oppenheimer effects. The nuclear displacements along specific vibrational modes are of the order of 15% of a typical chemical bond between carbon, oxygen, and nitrogen atoms and about 30% for bonds involving hydrogen atoms. The time required for the hole transfer corresponds to less than half a vibrational period of the involved nuclear modes. This finding challenges the common wisdom that nuclear dynamics of the molecular skeleton are unimportant for charge transfer processes at the few-femtosecond time scale and shows that they can even play a prominent role. It also indicates that in x-ray imaging experiments, in which ionization is unavoidable, valence electron redistribution caused by nuclear dynamics might be much faster than previously anticipated. Thus, non-Born-Oppenheimer effects may affect the apparent electron densities extracted from such measurements.

Dissociative double-photoionization of butadiene in the 25-45 eV energy range using 3-D multi-coincidence ion momentum imaging spectrometry

DOE Office of Scientific and Technical Information (OSTI.GOV)

Oghbaie, Shabnam; Gisselbrecht, Mathieu; Laksman, Joakim

Dissociative double-photoionization of butadiene in the 25-45 eV energy range has been studied with tunable synchrotron radiation using full three-dimensional ion momentum imaging. Using ab initio calculations, the electronic states of the molecular dication below 33 eV are identified. The results of the measurement and calculation show that double ionization from π orbitals selectively triggers twisting about the terminal or central C–C bonds. We show that this conformational rearrangement depends upon the dication electronic state, which effectively acts as a gateway for the dissociation reaction pathway. For photon energies above 33 eV, three-body dissociation channels where neutral H-atom evaporation precedesmore » C–C charge-separation in the dication species appear in the correlation map. The fragment angular distributions support a model where the dication species is initially aligned with the molecular backbone parallel to the polarization vector of the light, indicating a high probability for double-ionization to the “gateway states” for molecules with this orientation.« less

Autoionizing resonances in electron-impact ionization of O5+ ions

NASA Astrophysics Data System (ADS)

Müller, A.; Teng, H.; Hofmann, G.; Phaneuf, R. A.; Salzborn, E.

2000-12-01

We report on a detailed experimental and theoretical study of electron-impact ionization of O5+ ions. A high-resolution scan measurement of the K-shell excitation threshold region has been performed with statistical uncertainties as low as 0.03%. At this level of precision a wealth of features in the cross section arising from indirect ionization processes becomes visible, and even interference of direct ionization with resonant-excitation/auto-double-ionization (READI) is clearly observed. The experimental results are compared with R-matrix calculations that include both direct and indirect processes in a unified way. Radiative damping of autoionizing Li-like states is found to be about 10-15 %. The calculations almost perfectly reproduce most of the experimental resonance features found in the present measurement including READI. They also agree with the direct-ionization converged close-coupling results of I. Bray [J. Phys. B 28, L247 (1995)] and the absolute total ionization cross section measurement of K. Rinn et al. [Phys. Rev. A 36, 595 (1987)].

Photoionization of Ne Atoms and Ne + Ions Near the K Edge: PrecisionSpectroscopy and Absolute Cross-sections

DOE PAGES

Müller, Alfred; Bernhardt, Dietrich; Borovik, Alexander; ...

2017-02-17

Single, double, and triple photoionization of Ne + ions by single photons have been investigated at the synchrotron radiation source PETRA III in Hamburg, Germany. Absolute cross-sections were measured by employing the photon-ion merged-beams technique. Photon energies were between about 840 and 930 eV, covering the range from the lowest-energy resonances associated with the excitation of one single K-shell electron up to double excitations involving one K- and one L-shell electron, well beyond the K-shell ionization threshold. Also, photoionization of neutral Ne was investigated just below the K edge. The chosen photon energy bandwidths were between 32 and 500 meV,more » facilitating the determination of natural line widths. The uncertainty of the energy scale is estimated to be 0.2 eV. For comparison with existing theoretical calculations, astrophysically relevant photoabsorption cross-sections were inferred by summing the measured partial ionization channels. Discussion of the observed resonances in the different final ionization channels reveals the presence of complex Auger-decay mechanisms. The ejection of three electrons from the lowest K-shell-excited Ne + (1s2s 2p 6 2S 1/2) level, for example, requires cooperative interaction of at least four electrons.« less

Classical trajectory studies on the dynamics of one-photon double photionization of H2O

NASA Astrophysics Data System (ADS)

Streeter, Zachary; Yip, Frank; Reedy, Dylan P.; Landers, Allen; McCurdy, C. William

2017-04-01

Recent momentum imaging experiments at the Advanced Light Source have opened the possibility of measuring the complete triple differential cross section (TDCS) for one-photon double ionization of H2O in the molecular frame. The measurements depend on the complete breakup process, H2O + hν -> 2e-+ H+ + H+ +O. At the 57 eV photon energy of the experiment this process could proceed via any of the nine energetically accessible electronic states of H2O++. To discover which ionization channels contribute to the observed TDCS for the electrons measured in coincidence with different kinetic energy releases, we have carried out classical trajectory studies for breakup of the water dication on all nine potential surfaces, sampling from a Wigner phase space distribution for the vibrational ground state of H2O. The final momentum distributions of the protons and branching ratios between two- and three-body breakup are then analyzed and the results are compared with experiment to identify which ionization channels contribute to the TDCS observed in coincidence measurements of the ejected electrons. Office of Basic Energy Sciences, U.S. DOE.

Ultrafast electronic dynamics driven by nuclear motion

NASA Astrophysics Data System (ADS)

Vendrell, Oriol

2016-05-01

The transfer of electrical charge on a microscopic scale plays a fundamental role in chemistry, in biology, and in technological applications. In this contribution, we will discuss situations in which nuclear motion plays a central role in driving the electronic dynamics of photo-excited or photo-ionized molecular systems. In particular, we will explore theoretically the ultrafast transfer of a double electron hole between the functional groups of glycine after K-shell ionization and subsequent Auger decay. Although a large energy gap of about 15 eV initially exists between the two electronic states involved and coherent electronic dynamics play no role in the hole transfer, we will illustrate how the double hole can be transferred within 3 to 4 fs between both functional ends of the glycine molecule driven solely by specific nuclear displacements and non-Born-Oppenheimer effects. This finding challenges the common wisdom that nuclear dynamics of the molecular skeleton are unimportant for charge transfer processes at the few-femtosecond time scale and shows that they can even play a prominent role. We thank the Hamburg Centre for Ultrafast Imaging and the Volkswagen Foundation for financial support.

Generation of attosecond electron beams in relativistic ionization by short laser pulses

NASA Astrophysics Data System (ADS)

Cajiao Vélez, F.; Kamiński, J. Z.; Krajewska, K.

2018-03-01

Ionization by relativistically intense short laser pulses is studied in the framework of strong-field quantum electrodynamics. Distinctive patterns are found in the energy probability distributions of photoelectrons, which are sensitive to the properties of a driving laser field. It is demonstrated that these electrons are generated in the form of solitary attosecond wave packets. This is particularly important in light of various applications of attosecond electron beams such as in ultrafast electron diffraction and crystallography, or in time-resolved electron microscopy of physical, chemical, and biological processes. We also show that, for intense laser pulses, high-energy ionization takes place in narrow regions surrounding the momentum spiral, the exact form of which is determined by the shape of a driving pulse. The self-intersections of the spiral define the momenta for which the interference patterns in the energy distributions of photoelectrons are observed. Furthermore, these interference regions lead to the synthesis of single-electron wave packets characterized by coherent double-hump structures.

Intertwined electron-nuclear motion in frustrated double ionization in driven heteronuclear molecules

NASA Astrophysics Data System (ADS)

Vilà, A.; Zhu, J.; Scrinzi, A.; Emmanouilidou, A.

2018-03-01

We study frustrated double ionization (FDI) in a strongly-driven heteronuclear molecule HeH+ and compare with H2. We compute the probability distribution of the sum of the final kinetic energies of the nuclei for strongly-driven HeH+. We find that this distribution has more than one peak for strongly-driven HeH+, a feature we do not find to be present for strongly-driven H2. Moreover, we compute the probability distribution of the principal quantum number n of FDI. We find that this distribution has several peaks for strongly-driven HeH+, while the respective distribution has one main peak and a ‘shoulder’ at lower principal quantum numbers n for strongly-driven H2. Surprisingly, we find this feature to be a clear signature of the intertwined electron-nuclear motion.

Double differential cross sections of ethane molecule

NASA Astrophysics Data System (ADS)

Kumar, Rajeev

2018-05-01

Partial and total double differential cross sections corresponding to various cations C2H6+, C2H4+, C2H5+, C2H3+, C2H2+, CH3+, H+, CH2+, C2H+, H2+, CH+, H3+, C2+ and C+ produced during the direct and dissociative electron ionization of Ethane (C2H6) molecule have been calculated at fixed impinging electron energies 200 and 500eV by using modified Jain-Khare semi empirical approach. The calculation for double differential cross sections is made as a function of energy loss suffered by primary electron and angle of incident. To the best of my knowledge no other data is available for the comparison.

Shock-wave structure in a partially ionized gas

NASA Technical Reports Server (NTRS)

Lu, C. S.; Huang, A. B.

1974-01-01

The structure of a steady plane shock in a partially ionized gas has been investigated using the Boltzmann equation with a kinetic model as the governing equation and the discrete ordinate method as a tool. The effects of the electric field induced by the charge separation on the shock structure have also been studied. Although the three species of an ionized gas travel with approximately the same macroscopic velocity, the individual distribution functions are found to be very different. In a strong shock the atom distribution function may have double peaks, while the ion distribution function has only one peak. Electrons are heated up much earlier than ions and atoms in a partially ionized gas. Because the interactions of electrons with atoms and with ions are different, the ion temperature can be different from the atom temperature.

Proton-impact ionization cross sections of adenine measured at 0.5 and 2.0 MeV by electron spectroscopy

NASA Astrophysics Data System (ADS)

Iriki, Y.; Kikuchi, Y.; Imai, M.; Itoh, A.

2011-11-01

Double-differential ionization cross sections (DDCSs) of vapor-phase adenine molecules (C5H5N5) by 0.5- and 2.0-MeV proton impact have been measured by the electron spectroscopy method. Electrons ejected from adenine were analyzed by a 45∘ parallel-plate electrostatic spectrometer over an energy range of 1.0-1000 eV at emission angles from 15∘ to 165∘. Single-differential cross sections (SDCSs) and total ionization cross sections (TICSs) were also deduced. It was found from the Platzman plot, defined as SDCSs divided by the classical Rutherford knock-on cross sections per target electron, that the SDCSs at higher electron energies are proportional to the total number of valence electrons (50) of adenine, while those at low-energy electrons are highly enhanced due to dipole and higher-order interactions. The present results of TICS are in fairly good agreement with recent classical trajectory Monte Carlo calculations, and moreover, a simple analytical formula gives nearly equivalent cross sections in magnitude at the incident proton energies investigated.

Polarization asymmetry in two-electron photodetachment - A cogent test of the ionization threshold law

NASA Technical Reports Server (NTRS)

Temkin, A.; Bhatia, A. K.

1988-01-01

A very sensitive test of the electron-atom ionization threshold law is suggested: for spin-aligned heavy negative ions it consists of measuring the polarization asymmetry A(PA) coming from double detachment by left- versus right-circularly polarized light. The respective yields are worked out for the Te(-) (5p)5 2P(3/2) ion. The Coulomb-dipole theory predicts A(PA) to be the ratio of two oscillating functions in sharp contrast to any power law (specifically that of Wannier, 1953) for which the ratio is expected to be a smooth function of energy.

Electron impact ionization of O2 and the interference effect from forward-backward asymmetry

NASA Astrophysics Data System (ADS)

Chowdhury, Madhusree Roy; Tribedi, Lokesh C.

2017-08-01

Absolute double differential cross sections (DDCSs) of secondary electrons emitted from O2 under the impact of 7 keV electrons were measured for different emission angles between 30° and 145° having energies from 1-600 eV. The forward-backward angular asymmetry was observed from angular distribution of the DDCS of secondary electrons. The asymmetry parameter, thus obtained from the DDCS of two complementary angles, showed a clear signature of interference oscillation. The Cohen-Fano model of Young type electron interference at a molecular double slit is found to provide a good fit to the observed oscillatory structures. The present observation is in qualitative agreement with the recent results obtained from photoionization.

The inception of pulsed discharges in air: simulations in background fields above and below breakdown

NASA Astrophysics Data System (ADS)

Sun, Anbang; Teunissen, Jannis; Ebert, Ute

2014-11-01

We investigate discharge inception in air, in uniform background electric fields above and below the breakdown threshold. We perform 3D particle simulations that include a natural level of background ionization in the form of positive and \\text{O}2- ions. In background fields below breakdown, we use a strongly ionized seed of electrons and positive ions to enhance the field locally. In the region of enhanced field, we observe the growth of positive streamers, as in previous simulations with 2D plasma fluid models. The inclusion of background ionization has little effect in this case. When the background field is above the breakdown threshold, the situation is very different. Electrons can then detach from \\text{O}2- and start ionization avalanches in the whole volume. These avalanches together create one extended discharge, in contrast to the ‘double-headed’ streamers found in many fluid simulations.

Dissociation kinetics of excited ions: PEPICO measurements of Os3(CO)12 - The 7-35 eV single ionization binding energy region.

PubMed

Schalk, Oliver; Josefsson, Ida; Geng, Ting; Richter, Robert; Sa'adeh, Hanan; Thomas, Richard D; Mucke, Melanie

2018-02-28

In this article, we study the photoinduced dissociation pathways of a metallocarbonyl, Os 3 (CO) 12 , in particular the consecutive loss of CO groups. To do so, we performed photoelectron-photoion coincidence (PEPICO) measurements in the single ionization binding energy region from 7 to 35 eV using 45-eV photons. Zero-energy ion appearance energies for the dissociation steps were extracted by modeling the PEPICO data using the statistical adiabatic channel model. Upon ionization to the excited ionic states above 13 eV binding energy, non-statistical behavior was observed and assigned to prompt CO loss. Double ionization was found to be dominated by the knockout process with an onset of 20.9 ± 0.4 eV. The oscillator strength is significantly larger for energies above 26.6 ± 0.4 eV, corresponding to one electron being ejected from the Os 3 center and one from the CO ligands. The cross section for double ionization was found to increase linearly up to 35 eV ionization energy, at which 40% of the generated ions are doubly charged.

VUV and soft x-ray ionization of a plant volatile: Vanillin (C{sub 8}H{sub 8}O{sub 3})

DOE Office of Scientific and Technical Information (OSTI.GOV)

Betancourt, A. Moreno; Moura, C. E. V. de; Rocha, A. B.

2016-03-21

Plant volatiles are emitted by plants in response to several forms of stress, including interaction with energetic photons. In the present work, we discuss the interaction of extreme UV and soft X-ray photons with a plant volatile, vanillin. The single and double (multiple) ionization of the vanillin molecule have been studied for the first time using time-of-flight mass spectrometry and VUV and soft X-ray photons (synchrotron radiation, at 12.0 eV, 21.2 eV, 130 eV, 310 eV, 531 eV, and 550 eV). At 12.0 and 21.2 eV, only singly charged species are observed and the parent ion, C{sub 8}H{sub 8}O{sub 3}{supmore » +}, is the dominant species. Energy differences for some selected fragments were calculated theoretically in this energy region. At 130 eV, direct double and triple ionization of the valence electrons may occur. The fragmentation increases and CHO{sup +} becomes one of the main cations in the mass spectrum. The molecular ion is still the dominant species, but other fragments, such as C{sub 6}H{sub 5}O{sup +}, begin to present similar intensities. At 310 eV, C 1s electrons may be ionized and Auger processes give rise to dissociative doubly ionized cations. Ionization around the O 1s edge has been studied both at the 531 eV resonance and above the ionization edge. Resonant and normal Auger processes play a significant role in each case and a large fragmentation of the molecule is observed at both photon energies, with intense fragments such as CHO{sup +} and CH{sub 3}{sup +} being clearly observed. A near edge X-ray absorption fine structure spectrum of the vanillin molecule was obtained around the O 1s ionization threshold. In addition, the fragmentation of vanillin has also been studied using a fast beam of electrons (800 eV), for the sake of comparison.« less

The role of Upper Hybrid Turbulence on HF Artificial Ionization

NASA Astrophysics Data System (ADS)

Papadopoulos, Konstantinos Dennis; Najmi, Amir; Eliasson, Bengt; Milikh, Gennady

2016-07-01

One of the most fascinating and scientifically interesting phenomena of active space experiments is the discovery of artificial ionization by Todd Pedersen when the HAARP ERP reached the GW level. The phenomenon has been well documented experimentally. A theoretical model based on ionization by energetic electrons accelerated by 50-100 V/m localized electric fields due to Strong Langmuir Turbulence (SLT) near the reflection surface of the HF pump wave, reproduced the observed dynamics of the descending plasma layer quite accurately. A major defect of the model was that the electron temperature in the SLT region was a free parameter. When taken as the 2000 K representing the ambient electron temperature the SLT driven electron flux was insufficient to produce ionization. An equivalent electron temperature of 5000 K or higher was necessary to reproduce the observations. The needed electron heating was attributed to the interaction of the HF at the Upper Hybrid (UH) resonant layer, approximately 5 Km below the reflection region where the HF electric field is perpendicular to the ambient magnetic field. The heated electrons expanded upwards along the magnetic field line and interacted with SLT fields near the resonance region. A consequence of this defect was that the theory could not explain the puzzling double resonance effect. Namely the observation that the ionization level was much stronger when the HF frequency and the UH resonance were a multiple of the electron cyclotron frequency. To remedy this we used a series of Vlasov simulations to explore the HF-plasma interaction in the vicinity of the UH resonance. The simulations followed the evolution of the spectral density of the electric field over a 7.5 MHz frequency band and cm scale lengths and of the electron distribution function over one millisecond for both double resonant and non-resonant cases. Many new features were revealed by the analysis of the simulations such as: 1. Broadening of the wave-number spectral region at the at the UH frequency 2. Excitation of all Bernstein modes associated with cyclotron frequency harmonics both below and above the UH frequency for both the resonant and non0resonant cases. 3. Moderate electron heating, in the form of bulk heating caused by first Bernstein mode, although its wave intensity is more than 20 dB lower than the intensity of the UH branch for all non-resonant cases. 4. Strong generation of non-thermal tails for the resonant cases, by the UH waves downshifted by the lower hybrid frequency when the downshifted frequency was equal to an harmonic of the electron gyro-frequency. The new UH turbulence resolves several f the mysteries associated with artificial ionization and suggests several new observations. Acknowledgment:Work supported by AFOSR MURI grant FA95501410019.

Spectroscopic imaging of self-organization in high power impulse magnetron sputtering plasmas

DOE Office of Scientific and Technical Information (OSTI.GOV)

Andersson, Joakim; Centre for Quantum Technologies, National University of Singapore, 3 Science Drive 2, 117543 Singapore; Ni, Pavel

Excitation and ionization conditions in traveling ionization zones of high power impulse magnetron sputtering plasmas were investigated using fast camera imaging through interference filters. The images, taken in end-on and side-on views using light of selected gas and target atom and ion spectral lines, suggest that ionization zones are regions of enhanced densities of electrons, and excited atoms and ions. Excited atoms and ions of the target material (Al) are strongly concentrated near the target surface. Images from the highest excitation energies exhibit the most localized regions, suggesting localized Ohmic heating consistent with double layer formation.

Spectroscopic imaging of self-organization in high power impulse magnetron sputtering plasmas

DOE Office of Scientific and Technical Information (OSTI.GOV)

Centre for Quantum Technologies, National University of Singapore, 3 Science Drive 2, 117543 Singapore, Singapore; Andersson, Joakim; Ni, Pavel

Excitation and ionization conditions in traveling ionization zones of high power impulse magnetron sputtering plasmas were investigated using fast camera imaging through interference filters. The images, taken in end-on and side on views using light of selected gas and target atom and ion spectral lines, suggest that ionization zones are regions of enhanced densities of electrons, and excited atoms and ions. Excited atoms and ions of the target material (Al) are strongly concentrated near the target surface. Images from the highest excitation energies exhibit the most localized regions, suggesting localized Ohmic heating consistent with double layer formation.

Segmented all-electron Gaussian basis sets of double and triple zeta qualities for Fr, Ra, and Ac

NASA Astrophysics Data System (ADS)

Campos, C. T.; de Oliveira, A. Z.; Ferreira, I. B.; Jorge, F. E.; Martins, L. S. C.

2017-05-01

Segmented all-electron basis sets of valence double and triple zeta qualities plus polarization functions for the elements Fr, Ra, and Ac are generated using non-relativistic and Douglas-Kroll-Hess (DKH) Hamiltonians. The sets are augmented with diffuse functions with the purpose to describe appropriately the electrons far from the nuclei. At the DKH-B3LYP level, first atomic ionization energies and bond lengths, dissociation energies, and polarizabilities of a sample of diatomics are calculated. Comparison with theoretical and experimental data available in the literature is carried out. It is verified that despite the small sizes of the basis sets, they are yet reliable.

The equation-of-motion coupled cluster method for triple electron attached states

NASA Astrophysics Data System (ADS)

Musiał, Monika; Olszówka, Marta; Lyakh, Dmitry I.; Bartlett, Rodney J.

2012-11-01

The initial implementation of the triple electron attachment (TEA) equation-of-motion (EOM) coupled cluster (CC) method is presented, aiming at the description of electronic states with three open shell electrons outside a suitably chosen closed shell vacuum. In particular, such an approach can be used for describing dissociation of chemical bonds predominantly formed by three valence electrons, for example, in LiC and NaC molecules. Both ground and excited states are considered while rigorously maintaining the correct spin value. The preliminary results show a correct asymptotic behavior of the dissociation curves. At the same time, we emphasize that a chemically accurate description will require an extension of the minimal TEA-EOM-CC model introduced here, analogous to those already used in the double ionization potential and double electron attachment methods.

Two-photon double ionization of helium in the region of photon energies 42-50eV

NASA Astrophysics Data System (ADS)

Ivanov, I. A.; Kheifets, A. S.

2007-03-01

We report the total integrated cross section (TICS) of two-photon double ionization of helium in the photon energy range from 42to50eV . Our computational procedure relies on a numerical solution of the time-dependent Schrödinger equation on a square-integrable basis and subsequent projection of this solution on a set of final field-free states describing correlation in the two-electron continuum. Our results suggest that the TICS grows monotonically as a function of photon energy in the region of 42-50eV , possibly reaching a maximum in the vicinity of 50eV . We also present fully resolved triple-differential cross sections for selected photon energies.

Controlling nonsequential double ionization of Ne with parallel-polarized two-color laser pulses.

PubMed

Luo, Siqiang; Ma, Xiaomeng; Xie, Hui; Li, Min; Zhou, Yueming; Cao, Wei; Lu, Peixiang

2018-05-14

We measure the recoil-ion momentum distributions from nonsequential double ionization of Ne by two-color laser pulses consisting of a strong 800-nm field and a weak 400-nm field with parallel polarizations. The ion momentum spectra show pronounced asymmetries in the emission direction, which depend sensitively on the relative phase of the two-color components. Moreover, the peak of the doubly charged ion momentum distribution shifts gradually with the relative phase. The shifted range is much larger than the maximal vector potential of the 400-nm laser field. Those features are well recaptured by a semiclassical model. Through analyzing the correlated electron dynamics, we found that the energy sharing between the two electrons is extremely unequal at the instant of recollison. We further show that the shift of the ion momentum corresponds to the change of the recollision time in the two-color laser field. By tuning the relative phase of the two-color components, the recollision time is controlled with attosecond precision.

Equation of motion coupled cluster methods for electron attachment and ionization potential in polyacenes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bhaskaran-Nair, Kiran; Kowalski, Karol; Jarrell, Mark

2015-11-05

Polyacenes have attracted considerable attention due to their use in organic based optoelectronic materials. Polyacenes are polycyclic aromatic hydrocarbons composed of fused benzene rings. Key to understanding and design of new functional materials is an understanding of their excited state properties starting with their electron affinity (EA) and ionization potential (IP). We have developed a highly accurate and com- putationally e*fficient EA/IP equation of motion coupled cluster singles and doubles (EA/IP-EOMCCSD) method that is capable of treating large systems and large basis set. In this study we employ the EA/IP-EOMCCSD method to calculate the electron affinity and ionization potential ofmore » naphthalene, anthracene, tetracene, pentacene, hex- acene and heptacene. We have compared our results with other previous theoretical studies and experimental data. Our EA/IP results are in very good agreement with experiment and when compared with the other theoretical investigations our results represent the most accurate calculations as compared to experiment.« less

Investigation of ionized metal flux in enhanced high power impulse magnetron sputtering discharges

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stranak, Vitezslav, E-mail: stranak@prf.jcu.cz; Hubicka, Zdenek; Cada, Martin

2014-04-21

The metal ionized flux fraction and production of double charged metal ions Me{sup 2+} of different materials (Al, Cu, Fe, Ti) by High Power Impulse Magnetron Sputtering (HiPIMS) operated with and without a pre-ionization assistance is compared in the paper. The Electron Cyclotron Wave Resonance (ECWR) discharge was employed as the pre-ionization agent providing a seed of charge in the idle time of HiPIMS pulses. A modified grid-free biased quartz crystal microbalance was used to estimate the metal ionized flux fraction ξ. The energy-resolved mass spectrometry served as a complementary method to distinguish particular ion contributions to the total ionizedmore » flux onto the substrate. The ratio between densities of doubly Me{sup 2+} and singly Me{sup +} charged metal ions was determined. It is shown that ECWR assistance enhances Me{sup 2+} production with respect of absorbed rf-power. The ECWR discharge also increases the metal ionized flux fraction of about 30% especially in the region of lower pressures. Further, the suppression of the gas rarefaction effect due to enhanced secondary electron emission of Me{sup 2+} was observed.« less

Propensity for distinguishing two free electrons with equal energies in electron-impact ionization of helium

NASA Astrophysics Data System (ADS)

Ren, Xueguang; Senftleben, Arne; Pflüger, Thomas; Bartschat, Klaus; Zatsarinny, Oleg; Berakdar, Jamal; Colgan, James; Pindzola, Michael S.; Bray, Igor; Fursa, Dmitry V.; Dorn, Alexander

2015-11-01

We report a combined experimental and theoretical study on the electron-impact ionization of helium at E0=70.6 eV and equal energy sharing of the two outgoing electrons (E1=E2=23 eV ), where a double-peak or dip structure in the binary region of the triple differential cross section is observed. The experimental cross sections are compared with results from convergent close-coupling (CCC), B -spline R-matrix-with-pseudostates (BSR), and time-dependent close-coupling (TDCC) calculations, as well as predictions from the dynamic screening three-Coulomb (DS3C) theory. Excellent agreement is obtained between experiment and the nonperturbative CCC, BSR, and TDCC theories, and good agreement is also found for the DS3C model. The data are further analyzed regarding contributions in particular coupling schemes for the spins of either the two outgoing electrons or one of the outgoing electrons and the 1 s electron remaining in the residual ion. While both coupling schemes can be used to explain the observed double-peak structure in the cross section, the second one allows for the isolation of the exchange contribution between the incident projectile and the target. For different observation angles of the two outgoing electrons, we interpret the results as a propensity for distinguishing these two electrons—one being more likely the incident projectile and the other one being more likely ejected from the target.

Dissociative and double photoionization cross sections of NO from threshold to 120 A

NASA Technical Reports Server (NTRS)

Samson, J. A. R.; Masuoka, T.; Pareek, P. N.

1985-01-01

The partial photoionization cross sections for producing the NO(+) parent ion and the O(+), N(+), and NO(2+) fragmentations from neutral NO are presented from 120 to 614 A. The results indicate predissociation of the 3 pi (21.72 eV) and B-prime 1Sigma(+) (22.73 eV) electronic states of NO(+). The photoionization threshold for double ionization was found to be 39.4 + or - 0.12 eV.

Plasma effect on fast-electron-impact-ionization from 2p state of hydrogen-like ions

NASA Astrophysics Data System (ADS)

Qi, Y. Y.; Ning, L. N.; Wang, J. G.; Qu, Y. Z.

2013-12-01

Plasma effects on the high-energy electron-impact ionization process from 2p orbital of Hydrogen-like ions embedded in weakly coupled plasmas are investigated in the first Born approximation. The plasma screening of the Coulomb interaction between charged particles is represented by the Debye Hückel model. The screening of Coulomb interactions decreases the ionization energies and varies the wave functions for not only the bound orbital but also the continuum; the number of the summation for the angular-momentum states in the generalized oscillator strength densities is reduced with the plasma screening stronger when the ratio of ɛ /I2p (I2p is the ionization energy of 2p state and ɛ is the energy of the continuum electron) is kept, and then the contribution from the lower-angular-momentum states dominates the generalized oscillator strength densities, so the threshold phenomenon in the generalized oscillator strength densities and the double differential cross sections are remarkable: The accessional minima, the outstanding enhancement, and the resonance peaks emerge a certain energy region, whose energy position and width are related to the vicinity between δ and the critical value δnlc, corresponding to the special plasma condition when the bound state |nl⟩ just enters the continuum; the multiple virtual-state enhancement and the multiple shape resonances in a certain energy domain also appear in the single differential cross section whenever the plasma screening parameter passes through a critical value δnlc, which is similar to the photo-ionization process but different from it, where the dipole transition only happens, but multi-pole transition will occur in the electron-impact ionization process, so its multiple virtual-state enhancements and the multiple shape resonances appear more frequently than the photo-ionization process.

Using the charge-stabilization technique in the double ionization potential equation-of-motion calculations with dianion references.

PubMed

Kuś, Tomasz; Krylov, Anna I

2011-08-28

The charge-stabilization method is applied to double ionization potential equation-of-motion (EOM-DIP) calculations to stabilize unstable dianion reference functions. The auto-ionizing character of the dianionic reference states spoils the numeric performance of EOM-DIP limiting applications of this method. We demonstrate that reliable excitation energies can be computed by EOM-DIP using a stabilized resonance wave function instead of the lowest energy solution corresponding to the neutral + free electron(s) state of the system. The details of charge-stabilization procedure are discussed and illustrated by examples. The choice of optimal stabilizing Coulomb potential, which is strong enough to stabilize the dianion reference, yet, minimally perturbs the target states of the neutral, is the crux of the approach. Two algorithms of choosing optimal parameters of the stabilization potential are presented. One is based on the orbital energies, and another--on the basis set dependence of the total Hartree-Fock energy of the reference. Our benchmark calculations of the singlet-triplet energy gaps in several diradicals show a remarkable improvement of the EOM-DIP accuracy in problematic cases. Overall, the excitation energies in diradicals computed using the stabilized EOM-DIP are within 0.2 eV from the reference EOM spin-flip values. © 2011 American Institute of Physics

Numerical investigation of the double-arcing phenomenon in a cutting arc torch

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mancinelli, B. R., E-mail: bmancinelli@frvt.utn.edu.ar; Minotti, F. O.; Kelly, H.

2014-07-14

A numerical investigation of the double-arcing phenomenon in a cutting arc torch is reported. The dynamics of the double-arcing were simulated by using a two-dimensional model of the gas breakdown development in the space-charge layer contiguous to the nozzle of a cutting arc torch operated with oxygen. The kinetic scheme includes ionization of heavy particles by electron impact, electron attachment, electron detachment, electron–ion recombination, and ion–ion recombination. Complementary measurements during double-arcing phenomena were also conducted. A marked rise of the nozzle voltage was found. The numerical results showed that the dynamics of a cathode spot at the exit of themore » nozzle inner surface play a key role in the raising of the nozzle voltage, which in turn allows more electrons to return to the wall at the nozzle inlet. The return flow of electrons thus closes the current loop of the double-arcing. The increase in the (floating) nozzle voltage is due to the fact that the increased electron emission at the spot is mainly compensated by the displacement current (the ions do not play a relevant role due to its low-mobility) until that the stationary state is achieved and the electron return flow fully-compensates the electron emission at the spot. A fairly good agreement was found between the model and the experiment for a spot emission current growth rate of the order of 7 × 10{sup 4} A/s.« less

A model of electron collecting plasma contractors

NASA Technical Reports Server (NTRS)

Davis, V. A.; Katz, I.; Mandell, M. J.; Parks, D. E.

1989-01-01

A model of plasma contractors is being developed, which can be used to describe electron collection in a laboratory test tank and in the space environment. To validate the model development, laboratory experiments are conducted in which the source plasma is separated from the background plasma by a double layer. Model calculations show that an increase in ionization rate with potential produces a steep rise in collected current with increasing potential.

The influence of bremsstrahlung on electric discharge streamers in N2, O2 gas mixtures

NASA Astrophysics Data System (ADS)

Köhn, C.; Chanrion, O.; Neubert, T.

2017-01-01

Streamers are ionization filaments of electric gas discharges. Negative polarity streamers propagate primarily through electron impact ionization, whereas positive streamers in air develop through ionization of oxygen by UV photons emitted by excited nitrogen; however, experiments show that positive streamers may develop even for low oxygen concentrations. Here we explore if bremsstrahlung ionization facilitates positive streamer propagation. To discriminate between effects of UV and bremsstrahlung ionization, we simulate the formation of a double headed streamer at three different oxygen concentrations: no oxygen, 1 ppm O2 and 20% O2, as in air. At these oxygen levels, UV-relative to bremsstrahlung ionization is zero, small, and large. The simulations are conducted with a particle-in-cell code in a cylindrically symmetric configuration at ambient electric field magnitudes three times the conventional breakdown field. We find that bremsstrahlung induced ionization in air, contrary to expectations, reduces the propagation velocity of both positive and negative streamers by about 15%. At low oxygen levels, positive streamers stall; however, bremsstrahlung creates branching sub-streamers emerging from the streamer front that allow propagation of the streamer. Negative streamers propagate more readily forming branching sub-streamers. These results are in agreement with experiments. At both polarities, ionization patches are created ahead of the streamer front. Electrons with the highest energies are in the sub-streamer tips and the patches.

Space plasma contactor research, 1987

NASA Technical Reports Server (NTRS)

Wilbur, Paul J.

1988-01-01

A simple model describing the process of electron collection from a low pressure ambient plasma in the absence of magnetic field and contactor velocity effects is presented. Experimental measurments of the plasma surrounding the contactor are used to demonstrate that a double-sheath generally develops and separates the ambient plasma from a higher density, anode plasma located adjacent to the contactor. Agreement between the predictions of the model and experimental measurements obtained at the electron collection current levels ranging to 1 A suggests the surface area at the ambient plasma boundary of the double-sheath is equal to the electron current being collected divided by the ambient plasma random electron current density; the surface area of the higher density anode plasma boundary of the double-sheath is equal to the ion current being emitted across this boundary divided by the ion current density required to sustain a stable sheath; and the voltage drop across the sheath is determined by the requirement that the ion and electron currents counterflowing across the boundaries be at space-charge limited levels. The efficiency of contactor operation is shown to improve when significant ionization and excitation is induced by electrons that stream from the ambient plasma through the double-sheath and collide with neutral atoms being supplied through the hollow cathode.

Dissociative and double photoionization cross sections of NO from threshold to 120 A

NASA Technical Reports Server (NTRS)

Samson, J. A. R.; Masuoka, T.; Pareek, P. N.

1985-01-01

The partial photoionization cross sections for producing the NO(+) parent ion and the O(+), N(+), and NO2(+) fragment ions from neutral NO are presented from 120 to 614 A. The results indicate predissociation of the c(sup3) pi (21.72 eV) and B prime (sup 1) sigma (+) (22.73 eV) electronic states of NO(+). The photoionization threshold for double ionization was found to be 39.4 + or 0.12 eV.

Laser-induced breakup of helium 3S 1s2s with intermediate doubly excited states

NASA Astrophysics Data System (ADS)

Simonsen, A. S.; Bachau, H.; Førre, M.

2014-02-01

Solving the time-dependent Schrödinger equation in full dimensionality for two electrons, it is found that in the XUV regime the two-photon double ionization dynamics of He(1s2s) is predominantly dictated by the process of resonance enhanced multiphoton ionization via doubly excited states (DESs). We have studied a pump-probe scenario where the full laser-driven breakup of the 3S 1s2s metastable state is dominated by intermediate quasiresonant excitation to doubly excited (autoionizing) states in the 3Po series. Clear evidence of multipath interference effects is revealed in the resulting angular distributions of the ejected electrons in cases where more than one intermediate DES is populated in the process.

Coherent electron emission from O2 in collisions with fast electrons

NASA Astrophysics Data System (ADS)

Chowdhury, Madhusree Roy; Stia, Carlos R.; Tachino, Carmen A.; Fojón, Omar A.; Rivarola, Roberto D.; Tribedi, Lokesh C.

2017-08-01

Absolute double differential cross sections (DDCS) of secondary electrons emitted in ionization of O2 by fast electrons have been measured for different emission angles. Theoretical calculations of atomic DDCS were obtained using the first Born approximation with an asymptotic charge of Z T = 1. The measured molecular DDCS were divided by twice the theoretical atomic DDCS to detect the presence of interference effects which was the aim of the experiment. The experimental to theoretical DDCS ratios showed clear signature of first order interference oscillation for all emission angles. The ratios were fitted by a first order Cohen-Fano type model. The variation of the oscillation amplitudes as a function of the electron emission angle showed a parabolic behaviour which goes through a minimum at 90°. The single differential and total ionization cross sections have also been deduced, besides the KLL Auger cross sections. In order to make a comparative study, we have discussed these results along with our recent experimental data obtained for N2 molecule.

Absolute electron-impact total ionization cross sections of chlorofluoromethanes

NASA Astrophysics Data System (ADS)

Martínez, Roberto; Sierra, Borja; Redondo, Carolina; Rayo, María N. Sánchez; Castaño, Fernando

2004-12-01

An experimental study is reported on the electron-impact total ionization cross sections (TICSs) of CCl4, CCl3F, CCl2F2, and CClF3 molecules. The kinetic energy of the colliding electrons was in the 10-85 eV range. TICSs were obtained as the sum of the partial ionization cross sections of all fragment ions, measured and identified in a linear double focusing time-of-flight mass spectrometer. The resulting TICS profiles—as a function of the electron-impact energy—have been compared both with those computed by ab initio and (semi)empirical methods and with the available experimental data. The computational methods used include the binary-encounter-Bethe (BEB) modified to include atoms with principal quantum numbers n⩾3, the Deutsch and Märk (DM) formalism, and the modified additivity rule (MAR). It is concluded that both modified BEB and DM methods fit the experimental TICS for (CF4), CClF3, CCl2F2, CCl3F, and CCl4 to a high accuracy, in contrast with the poor accord of the MAR method. A discussion on the factors influencing the discrepancies of the fittings is presented.

Electron-impact Ionization of P-like Ions Forming Si-like Ions

NASA Astrophysics Data System (ADS)

Kwon, D.-H.; Savin, D. W.

2014-03-01

We have calculated electron-impact ionization (EII) for P-like systems from P to Zn15 + forming Si-like ions. The work was performed using the flexible atomic code (FAC) which is based on a distorted-wave approximation. All 3l → nl' (n = 3-35) excitation-autoionization (EA) channels near the 3p direct ionization threshold and 2l → nl' (n = 3-10) EA channels at the higher energies are included. Close attention has been paid to the detailed branching ratios. Our calculated total EII cross sections are compared both with previous FAC calculations, which omitted many of these EA channels, and with the available experimental results. Moreover, for Fe11 +, we find that part of the remaining discrepancies between our calculations and recent measurements can be accounted for by the inclusion of the resonant excitation double autoionization process. Lastly, at the temperatures where each ion is predicted to peak in abundances in collisional ionization equilibrium, the Maxwellian rate coefficients derived from our calculations differ by 50%-7% from the previous FAC rate coefficients, with the difference decreasing with increasing charge.

Electron molecular ion recombination: product excitation and fragmentation.

PubMed

Adams, Nigel G; Poterya, Viktoriya; Babcock, Lucia M

2006-01-01

Electron-ion dissociative recombination is an important ionization loss process in any ionized gas containing molecular ions. This includes the interstellar medium, circumstellar shells, cometary comae, planetary ionospheres, fusion plasma boundaries, combustion flames, laser plasmas and chemical deposition and etching plasmas. In addition to controlling the ionization density, the process generates many radical species, which can contribute to a parallel neutral chemistry. Techniques used to obtain rate data and product information (flowing afterglows and storage rings) are discussed and recent data are reviewed including diatomic to polyatomic ions and cluster ions. The data are divided into rate coefficients and cross sections, including their temperature/energy dependencies, and quantitative identification of neutral reaction products. The latter involve both ground and electronically excited states and including vibrational excitation. The data from the different techniques are compared and trends in the data are examined. The reactions are considered in terms of the basic mechanisms (direct and indirect processes including tunneling) and recent theoretical developments are discussed. Finally, new techniques are mentioned (for product identification; electrostatic storage rings, including single and double rings; Coulomb explosion) and new ways forward are suggested.

Characterization of Nuclear Recoils in High Pressure Xenon Gas: Towards a Simultaneous Search for WIMP Dark Matter and Neutrinoless Double Beta Decay

DOE PAGES

Renner, J.; Gehman, V. M.; Goldschmidt, A.; ...

2015-03-24

Xenon has recently been the medium of choice in several large scale detectors searching for WIMP dark matter and neutrinoless double beta decay. Though present-day large scale experiments use liquid xenon, the gas phase offers advantages favorable to both types of searches such as improved intrinsic energy resolution and fewer fluctuations in the partition of deposited energy between scintillation and ionization channels. We recently constructed a high pressure xenon gas TPC as a prototype for the NEXT (Neutrino Experiment with a Xenon TPC) neutrinoless double beta decay experiment and have demonstrated the feasibility of 0.5% FWHM energy resolution at themore » 136Xe double beta Q-value with 3-D tracking capabilities. We now present results from this prototype on the simultaneous observation of scintillation and ionization produced by nuclear recoils at approximately 14 bar pressure. The recoils were produced by neutrons of approximately 2-6 MeV emitted from a radioisotope plutonium-beryllium source, and primary scintillation (S1) and electroluminescent photons produced by ionization (S2) were observed. We discuss the potential of gaseous xenon to distinguish between electron and nuclear recoils through the ratio of these two signals S2/S1. From these results combined with the possibility of using columnar recombination to sense nuclear recoil directionality at high pressures we envision a dual-purpose, ton-scale gaseous xenon detector capable of a combined search for WIMP dark matter and neutrinoless double beta decay. This work has been performed within the context of the NEXT collaboration.« less

Wave-packet continuum-discretization approach to ion-atom collisions including rearrangement: Application to differential ionization in proton-hydrogen scattering

NASA Astrophysics Data System (ADS)

Abdurakhmanov, I. B.; Bailey, J. J.; Kadyrov, A. S.; Bray, I.

2018-03-01

In this work, we develop a wave-packet continuum-discretization approach to ion-atom collisions that includes rearrangement processes. The total scattering wave function is expanded using a two-center basis built from wave-packet pseudostates. The exact three-body Schrödinger equation is converted into coupled-channel differential equations for time-dependent expansion coefficients. In the asymptotic region these time-dependent coefficients represent transition amplitudes for all processes including elastic scattering, excitation, ionization, and electron capture. The wave-packet continuum-discretization approach is ideal for differential ionization studies as it allows one to generate pseudostates with arbitrary energies and distribution. The approach is used to calculate the double differential cross section for ionization in proton collisions with atomic hydrogen. Overall good agreement with experiment is obtained for all considered cases.

Comparison of experimental and theoretical electron-impact-ionization triple-differential cross sections for ethane

NASA Astrophysics Data System (ADS)

Ali, Esam; Nixon, Kate; Murray, Andrew; Ning, Chuangang; Colgan, James; Madison, Don

2015-10-01

We have recently examined electron-impact ionization of molecules that have one large atom at the center, surrounded by H nuclei (H2O , N H3 , C H4 ). All of these molecules have ten electrons; however, they vary in their molecular symmetry. We found that the triple-differential cross sections (TDCSs) for the highest occupied molecular orbitals (HOMOs) were similar, as was the character of the HOMO orbitals which had a p -type "peanut" shape. In this work, we examine ethane (C2H6 ) which is a molecule that has two large atoms surrounded by H nuclei, so that its HOMO has a double-peanut shape. The experiment was performed using a coplanar symmetric geometry (equal final-state energies and angles). We find the TDCS for ethane is similar to the single-center molecules at higher energies, and is similar to a diatomic molecule at lower energies.

Collective relaxation processes in atoms, molecules and clusters

NASA Astrophysics Data System (ADS)

Kolorenč, Přemysl; Averbukh, Vitali; Feifel, Raimund; Eland, John

2016-04-01

Electron correlation is an essential driver of a variety of relaxation processes in excited atomic and molecular systems. These are phenomena which often lead to autoionization typically involving two-electron transitions, such as the well-known Auger effect. However, electron correlation can give rise also to higher-order processes characterized by multi-electron transitions. Basic examples include simultaneous two-electron emission upon recombination of an inner-shell vacancy (double Auger decay) or collective decay of two holes with emission of a single electron. First reports of this class of processes date back to the 1960s, but their investigation intensified only recently with the advent of free-electron lasers. High fluxes of high-energy photons induce multiple excitation or ionization of a system on the femtosecond timescale and under such conditions the importance of multi-electron processes increases significantly. We present an overview of experimental and theoretical works on selected multi-electron relaxation phenomena in systems of different complexity, going from double Auger decay in atoms and small molecules to collective interatomic autoionization processes in nanoscale samples.

Giant plasmon excitation in single and double ionization of C60 by fast highly charged Si and O ions

NASA Astrophysics Data System (ADS)

Kelkar, A. H.; Kadhane, U.; Misra, D.; Tribedi, L. C.

2007-09-01

Se have investigated single and double ionization of C60 molecule in collisions with 2.33 MeV/u Siq+ (q=6-14) and 3.125 MeV/u Oq+ (q=5-8) projectiles. The projectile charge state dependence of the single and double ionization yields of C60 are then compared to those for an ion-atom collision system using Ne gas as a target. A large difference between the gas and the cluster target behaviour was partially explained in terms of a model based on collective excitation namely the giant dipole plasmon resonance (GDPR). The qualitative agreement between the data and GDPR model prediction for single and double ionization signifies the importance of single and double plasmon excitations in the ionization process. A large deviation of the GDPR model for triple and quadruple ionization from the experimental data imply the importance of the other low impact parameter processes such as evaporation, fragmentation and a possible solid-like dynamical screening.

Electron Dynamics in Finite Quantum Systems

NASA Astrophysics Data System (ADS)

McDonald, Christopher R.

The multiconfiguration time-dependent Hartree-Fock (MCTDHF) and multiconfiguration time-dependent Hartree (MCTDH) methods are employed to investigate nonperturbative multielectron dynamics in finite quantum systems. MCTDHF is a powerful tool that allows for the investigation of multielectron dynamics in strongly perturbed quantum systems. We have developed an MCTDHF code that is capable of treating problems involving three dimensional (3D) atoms and molecules exposed to strong laser fields. This code will allow for the theoretical treatment of multielectron phenomena in attosecond science that were previously inaccessible. These problems include complex ionization processes in pump-probe experiments on noble gas atoms, the nonlinear effects that have been observed in Ne atoms in the presence of an x-ray free-electron laser (XFEL) and the molecular rearrangement of cations after ionization. An implementation of MCTDH that is optimized for two electrons, each moving in two dimensions (2D), is also presented. This implementation of MCTDH allows for the efficient treatment of 2D spin-free systems involving two electrons; however, it does not scale well to 3D or to systems containing more that two electrons. Both MCTDHF and MCTDH were used to treat 2D problems in nanophysics and attosecond science. MCTDHF is used to investigate plasmon dynamics and the quantum breathing mode for several electrons in finite lateral quantum dots. MCTDHF is also used to study the effects of manipulating the potential of a double lateral quantum dot containing two electrons; applications to quantum computing are discussed. MCTDH is used to examine a diatomic model molecular system exposed to a strong laser field; nonsequential double ionization and high harmonic generation are studied and new processes identified and explained. An implementation of MCTDHF is developed for nonuniform tensor product grids; this will allow for the full 3D implementation of MCTDHF and will provide a means to investigate a wide variety of problems that cannot be currently treated by any other method. Finally, the time it takes for an electron to tunnel from a bound state is investigated; a definition of the tunnel time is established and the Keldysh time is connected to the wavefunction dynamics.

Double proton transfer behavior and one-electron oxidation effect in double H-bonded glycinamide-formic acid complex.

PubMed

Li, Ping; Bu, Yuxiang

2004-11-22

The behavior of double proton transfer occurring in a representative glycinamide-formic acid complex has been investigated at the B3LYP/6-311 + + G( * *) level of theory. Thermodynamic and, especially, kinetic parameters, such as tautomeric energy, equilibrium constant, and barrier heights have been discussed, respectively. The relevant quantities involved in the double proton transfer process, such as geometrical changes, interaction energies, and intrinsic reaction coordinate calculations have also been studied. Computational results show that the participation of a formic acid molecule favors the proceeding of the proton transfer for glycinamide compared with that without mediate-assisted case. The double proton transfer process proceeds with a concerted mechanism rather than a stepwise one since no ion-pair complexes have been located during the proton transfer process. The calculated barrier heights are 11.48 and 0.85 kcal/mol for the forward and reverse directions, respectively. However, both of them have been reduced by 2.95 and 2.61 kcal/mol to 8.53 and -1.76 kcal/mol if further inclusion of zero-point vibrational energy corrections, where the negative barrier height implies that the reverse reaction should proceed with barrierless spontaneously, analogous to that occurring between glycinamide and formamide. Furthermore, solvent effects on the thermodynamic and kinetic processes have also been predicted qualitatively employing the isodensity surface polarized continuum model within the framework of the self-consistent reaction field theory. Additionally, the oxidation process for the double H-bonded glycinamide-formic acid complex has also been investigated. Contrary to that neutral form possessing a pair of two parallel intermolecular H bonds, only a single H bond with a comparable strength has been found in its ionized form. The vertical and adiabatic ionization potentials for the neutral complex have been determined to be about 9.40 and 8.69 eV, respectively, where ionization is mainly localized on the glycinamide fragment. Like that ionized glycinamide-formamide complex, the proton transfer in the ionized complex is characterized by a single-well potential, implying that the proton initially attached to amide N4 in the glycinamide fragment cannot be transferred to carbonyl O13 in the formic acid fragment at the geometry of the optimized complex. Copyright 2004 American Institute of Physics.

Double Photoionization of excited Lithium and Beryllium

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yip, Frank L.; McCurdy, C. William; Rescigno, Thomas N.

2010-05-20

We present total, energy-sharing and triple differential cross sections for one-photon, double ionization of lithium and beryllium starting from aligned, excited P states. We employ a recently developed hybrid atomic orbital/ numerical grid method based on the finite-element discrete-variable representation and exterior complex scaling. Comparisons with calculated results for the ground-state atoms, as well as analogous results for ground-state and excited helium, serve to highlight important selection rules and show some interesting effects that relate to differences between inter- and intra-shell electron correlation.

Formation of metal-ion adducts and evidence for surface-catalyzed ionization in electrospray analysis of pharmaceuticals and pesticides

USGS Publications Warehouse

Thurman, E.M.; Ferrer, I.

2002-01-01

The formation of metal ion adducts in liquid chromatography/mass spectrometry positive-ion electrospray analysis of pharmaceuticals and pesticides was investigated. The evidence of surface-catalyzed ionization in the electrospray analysis was also studied. Both positive and negative ion mass spectrometry were used for the analysis of the products. It was found that the sodium adducts formed in the analysis included single, double, and triple sodium adducts. Adduction was found to occur by attachment of the metal ion to carboxyl, carbonyl and aromatic pi electrons of the molecule.

(e,2e) and (Î3,2e) Processes: Open and Closed Questions

NASA Astrophysics Data System (ADS)

An important breakthrough has been achieved recently in the description of (e,2e) and (Î3,2e) processes with the development of new ab-initio theories: the external complex scaling theory (ECS), the time dependent close coupling theory (TDCC), and the hyperspherical R-matrix theory with semiclassical outgoing waves (HRM-SOW). The principles of these various theories are summarized, their relations are considered, and their achievements are discussed with respect to the available experimental data regarding electron impact ionization of H and photo double ionization of He. Possible directions for future work are outlined.

Plasma contactor research, 1990

NASA Technical Reports Server (NTRS)

Williams, John D.; Wilbur, Paul J.

1991-01-01

Emissive and Langmuir probes were used to measure plasma potential profiles, plasma densities, electron energy distributions, and plasma noise levels near a hollow cathode-based plasma contactor emitting electrons. The effects of electron emission current (100 to 1500 mA) and contactor flowrate (2 to 10 sccm (Xenon)) on these data are examined. Retarding potential analyzer (RPA) measurements showing that high energy ions generally stream from a contactor along with the electrons being emitted are also presented, and a mechanism by which this occurs is postulated. This mechanism, which involves a high rate of ionization induced between electrons and atoms flowing together from the hollow cathode orifice, results in a region of high positive space charge and high positive potential. Langmuir and RPA probe data suggests that both electrons and ions expand spherically from this potential hill region. In addition to experimental observations, a simple one-dimensional model which describes the electron emission process and predicts the phenomena just mentioned is presented and is shown to agree qualitatively with these observations. Experimental results of the first stage of bilateral cooperation with the Italian Institute of Interplanetary Space Physics (IFSI CNR) are presented. Sharp, well-defined double layers were observed downstream of a contactor collecting electrons from an ambient plasma created in the IFSI Facility. The voltage drop across these double layers was observed to increase with the current drawn from the ambient plasma. This observation, which was not as clear in previous IFSI tests conducted at higher neutral pressures, is in agreement with previous experimental observations made at both Colorado State University and NASA Lewis Research Center. Greater double layer voltage drops, multiple double layers, and higher noise levels in the region near the double layers were also observed when a magnetic field was imposed and oriented perpendicular to the line joining the contactor and simulator.

Effect of multiple plasmon excitation on single, double and multiple ionizations of C60 in collisions with fast highly charged Si ions

NASA Astrophysics Data System (ADS)

Kelkar, A. H.; Kadhane, U.; Misra, D.; Kumar, A.; Tribedi, L. C.

2007-06-01

We have investigated the single and multiple ionizations of the C60 molecule in collisions with fast Siq+ projectiles for various projectile charge states (q) between q = 6 and 14. The q-dependence of the ionization cross sections and their ratios is compared with the giant dipole plasmon resonance (GDPR) model. The excellent qualitative agreement with the model in case of single and double ionizations and also a reasonable agreement with the triple (and to some extent with quadruple) ionization (without evaporation) yields signify dominant contributions of the single-, double- and triple-plasmon excitations on the single- and multiple-ionization process.

Near-K -edge single, double, and triple photoionization of C+ ions

NASA Astrophysics Data System (ADS)

Müller, A.; Borovik, A.; Buhr, T.; Hellhund, J.; Holste, K.; Kilcoyne, A. L. D.; Klumpp, S.; Martins, M.; Ricz, S.; Viefhaus, J.; Schippers, S.

2018-01-01

Single, double, and triple ionization of the C+ ion by a single photon have been investigated in the energy range 286 to 326 eV around the K -shell single-ionization threshold at an unprecedented level of detail. At energy resolutions as low as 12 meV, corresponding to a resolving power of 24 000, natural linewidths of the most prominent resonances could be determined. From the measurement of absolute cross sections, oscillator strengths, Einstein coefficients, multielectron Auger decay rates, and other transition parameters of the main K -shell excitation and decay processes are derived. The cross sections are compared to results of previous theoretical calculations. Mixed levels of agreement are found despite the relatively simple atomic structure of the C+ ion with only five electrons. This paper is a followup to a previous Letter [A. Müller et al., Phys. Rev. Lett. 114, 013002 (2015), 10.1103/PhysRevLett.114.013002].

Correlated multielectron dynamics in mid-infrared laser pulse interactions with neon atoms.

PubMed

Tang, Qingbin; Huang, Cheng; Zhou, Yueming; Lu, Peixiang

2013-09-09

The multielectron dynamics in nonsequential triple ionization (NSTI) of neon atoms driven by mid-infrared (MIR) laser pulses is investigated with the three-dimensional classical ensemble model. In consistent with the experimental result, our numerical result shows that in the MIR regime, the triply charged ion longitudinal momentum spectrum exhibits a pronounced double-hump structure at low laser intensity. Back analysis reveals that as the intensity increases, the responsible triple ionization channels transform from direct (e, 3e) channel to the various mixed channels. This transformation of the NSTI channels leads to the results that the shape of ion momentum spectra becomes narrow and the distinct maxima shift towards low momenta with the increase of the laser intensity. By tracing the triply ionized trajectories, the various ionization channels at different laser intensities are clearly identified and these results provide an insight into the complex dynamics of the correlated three electrons in NSTI.

Electron-impact ionization of P-like ions forming Si-like ions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kwon, D.-H.; Savin, D. W., E-mail: hkwon@kaeri.re.kr

2014-03-20

We have calculated electron-impact ionization (EII) for P-like systems from P to Zn{sup 15+} forming Si-like ions. The work was performed using the flexible atomic code (FAC) which is based on a distorted-wave approximation. All 3ℓ → nℓ' (n = 3-35) excitation-autoionization (EA) channels near the 3p direct ionization threshold and 2ℓ → nℓ' (n = 3-10) EA channels at the higher energies are included. Close attention has been paid to the detailed branching ratios. Our calculated total EII cross sections are compared both with previous FAC calculations, which omitted many of these EA channels, and with the available experimentalmore » results. Moreover, for Fe{sup 11+}, we find that part of the remaining discrepancies between our calculations and recent measurements can be accounted for by the inclusion of the resonant excitation double autoionization process. Lastly, at the temperatures where each ion is predicted to peak in abundances in collisional ionization equilibrium, the Maxwellian rate coefficients derived from our calculations differ by 50%-7% from the previous FAC rate coefficients, with the difference decreasing with increasing charge.« less

Double photoionization of Be-like (Be-F5+) ions

NASA Astrophysics Data System (ADS)

Abdel Naby, Shahin; Pindzola, Michael; Colgan, James

2015-04-01

The time-dependent close-coupling method is used to study the single photon double ionization of Be-like (Be - F5+) ions. Energy and angle differential cross sections are calculated to fully investigate the correlated motion of the two photoelectrons. Symmetric and antisymmetric amplitudes are presented along the isoelectronic sequence for different energy sharing of the emitted electrons. Our total double photoionization cross sections are in good agreement with available theoretical results and experimental measurements along the Be-like ions. This work was supported in part by grants from NSF and US DoE. Computational work was carried out at NERSC in Oakland, California and the National Institute for Computational Sciences in Knoxville, Tennessee.

High-resolution electron spectroscopy of lanthanide (Ce, Pr, and Nd) complexes of cyclooctatetraene: the role of 4f electrons.

PubMed

Kumari, Sudesh; Roudjane, Mourad; Hewage, Dilrukshi; Liu, Yang; Yang, Dong-Sheng

2013-04-28

Cerium, praseodymium, and neodymium complexes of 1,3,5,7-cyclooctatetraene (COT) complexes were produced in a laser-vaporization metal cluster source and studied by pulsed-field ionization zero electron kinetic energy spectroscopy and quantum chemical calculations. The computations included the second-order Møller-Plesset perturbation theory, the coupled cluster method with single, double, and perturbative triple excitations, and the state-average complete active space self-consistent field method. The spectrum of each complex exhibits multiple band systems and is assigned to ionization of several low-energy electronic states of the neutral complex. This observation is different from previous studies of M(COT) (M = Sc, Y, La, and Gd), for which a single band system was observed. The presence of the multiple low-energy electronic states is caused by the splitting of the partially filled lanthanide 4f orbitals in the ligand field, and the number of the low-energy states increases rapidly with increasing number of the metal 4f electrons. On the other hand, the 4f electrons have a small effect on the geometries and vibrational frequencies of these lanthanide complexes.

Time-dependent calculations of transfer ionization by fast proton-helium collision in one-dimensional kinematics

NASA Astrophysics Data System (ADS)

Serov, Vladislav V.; Kheifets, A. S.

2014-12-01

We analyze a transfer ionization (TI) reaction in the fast proton-helium collision H++He →H0+He2 ++ e- by solving a time-dependent Schrödinger equation (TDSE) under the classical projectile motion approximation in one-dimensional kinematics. In addition, we construct various time-independent analogs of our model using lowest-order perturbation theory in the form of the Born series. By comparing various aspects of the TDSE and the Born series calculations, we conclude that the recent discrepancies of experimental and theoretical data may be attributed to deficiency of the Born models used by other authors. We demonstrate that the correct Born series for TI should include the momentum-space overlap between the double-ionization amplitude and the wave function of the transferred electron.

One-electron-mediated rearrangements of 2,3-disiladicarbene.

PubMed

Mondal, Kartik Chandra; Samuel, Prinson P; Roesky, Herbert W; Aysin, Rinat R; Leites, Larissa A; Neudeck, Sven; Lübben, Jens; Dittrich, Birger; Holzmann, Nicole; Hermann, Markus; Frenking, Gernot

2014-06-25

A disiladicarbene, (Cy-cAAC)2Si2 (2), was synthesized by reduction of Cy-cAAC:SiCl4 adduct with KC8. The dark-colored compound 2 is stable at room temperature for a year under an inert atmosphere. Moreover, it is stable up to 190 °C and also can be characterized by electron ionization mass spectrometry. Theoretical and Raman studies reveal the existence of a Si═Si double bond with a partial double bond between each carbene carbon atom and silicon atom. Cyclic voltammetry suggests that 2 can quasi-reversibly accept an electron to produce a very reactive radical anion, 2(•-), as an intermediate species. Thus, reduction of 2 with potassium metal at room temperature led to the isolation of an isomeric neutral rearranged product and an anionic dimer of a potassium salt via the formation of 2(•-).

Single and Double Photoionization of Mg

NASA Astrophysics Data System (ADS)

Abdel-Naby, Shahin; Pindzola, M. S.; Colgan, J.

2014-05-01

Single and double photoionization cross sections for Mg are calculated using a time-dependent close-coupling method. The correlation between the two 3 s subshell electrons of Mg is obtained by relaxation of the close-coupled equations in imaginary time. An implicit method is used to propagate the close-coupled equations in real time to obtain single and double ionization cross sections for Mg. Energy and angle triple differential cross sections for double photoionization at equal energy sharing of E1 =E2 = 16 . 4 eV are compared with Elettra experiments and previous theoretical calculations. This work was supported in part by grants from NSF and US DoE. Computational work was carried out at NERSC in Oakland, California, NICS in Knoxville, Tennessee, and OLCF in Oak Ridge, Tennessee.

Single and double multiphoton ionization of Li and Be atoms by strong laser fields

NASA Astrophysics Data System (ADS)

Telnov, Dmitry; Heslar, John; Chu, Shih-I.

2011-05-01

The time-dependent density functional theory with self-interaction correction and proper asymptotic long-range potential is extended for nonperturbative treatment of multiphoton single and double ionization of Li and Be atoms by strong 800 nm laser fields. We make use of the time-dependent Krieger-Li-Iafrate (TDKLI) exchange-correlation potential with the integer discontinuity which improves the description of the double ionization process. However, we have found that the discontinuity of the TDKLI potential is not sufficient to reproduce the characteristic feature of double ionization. This may happen because the discontinuity of the TDKLI potential is related to the spin particle numbers only and not to the total particle number. Introducing a discontinuity with respect to the total particle number to the exchange-correlation potential, we were able to obtain the knee structure in the intensity dependence of the double ionization probability of Be. This work was partially supported by DOE and NSF and by NSC-Taiwan.

Theoretical study of the electronic states of newly detected dications. Case of MgS2+ AND SiN2+

NASA Astrophysics Data System (ADS)

Khairat, Toufik; Salah, Mohammed; Marakchi, Khadija; Komiha, Najia

2017-08-01

The dications MgS2+ and SiN2+, experimentally observed by mass spectroscopy, are theoretically studied here. The potential energy curves of the electronic states of the two dications MgS2+ and SiN2+ are mapped and their spectroscopic parameters determined by analysis of the electronic, vibrational and rotational wave functions obtained by using complete active space self-consistent field (CASSCF) calculations, followed by the internally contracted multi-reference configuration interaction (MRCI)+Q associated with the AV5Z correlation consistent atomic orbitals basis sets. In the following, besides the characterization of the potential energy curves, excitation and dissociation energies, spectroscopic constants and a double-ionization spectra of MgS and SiN are determined using the transition moments values and Franck-Condon factors. The electronic ground states of the two dications appear to be of X3∑-nature for MgS2+ and X4∑- for SiN2+ and shows potential wells of about 1.20 eV and 1.40 eV, respectively. Several excited states of these doubly charged molecules also depicted here are slightly bound. The adiabatic double-ionization energies were deduced, at 21.4 eV and 18.4 eV, respectively, from the potential energy curves of the electronic ground states of the neutral and charged species. The neutral molecules, since involved, are also investigated here. From all these results, the experimental lines of the mass spectra of MgS and SiN could be partly assigned.

Surface properties of lead-free halide double perovskites: Possible visible-light photo-catalysts for water splitting

NASA Astrophysics Data System (ADS)

Volonakis, George; Giustino, Feliciano

2018-06-01

Halide double perovskites based on combinations of monovalent and trivalent cations have been proposed as promising lead-free alternatives to lead halide perovskites. Among the newly synthesized compounds Cs2BiAgCl6, Cs2BiAgBr6, Cs2SbAgCl6, and Cs2InAgCl6, some exhibit bandgaps in the visible range and all have low carrier effective masses; therefore, these materials constitute potential candidates for various opto-electronic applications. Here, we use first-principles calculations to investigate the electronic properties of the surfaces of these four compounds and determine, for the first time, their ionization potential and electron affinity. We find that the double perovskites Cs2BiAgCl6 and Cs2BiAgBr6 are potentially promising materials for photo-catalytic water splitting, while Cs2InAgCl6 and Cs2SbAgCl6 would require controlling their surface termination to obtain energy levels appropriate for water splitting. The energy of the halogen p orbitals is found to control the conduction band level; therefore, we propose that mixed halides could be used to fine-tune the electronic affinity.

Increased upstream ionization due to formation of a double layer.

PubMed

Thakur, S Chakraborty; Harvey, Z; Biloiu, I A; Hansen, A; Hardin, R A; Przybysz, W S; Scime, E E

2009-01-23

We report observations that confirm a theoretical prediction that formation of a current-free double layer in a plasma expanding into a chamber of larger diameter is accompanied by an increase in ionization upstream of the double layer. The theoretical model argues that the increased ionization is needed to balance the difference in diffusive losses upstream and downstream of the expansion region. In our expanding helicon source experiments, we find that the upstream plasma density increases sharply at the same antenna frequency at which the double layer appears.

Multiple ionization of C 60 in collisions with 2.33 MeV/u O-ions and giant plasmon excitation

NASA Astrophysics Data System (ADS)

Kelkar, A. H.; Kadhane, U.; Misra, D.; Kumar, Ajay; Tribedi, L. C.

2007-03-01

Single and multiple ionization of C60 in collisions with fast (v = 9.7 a.u.) Oq+ ions have been studied. Relative cross sections for production of C 601+ to C 604+ have been measured. The intensity ratios of double-to-single ionization agree very well with a model based on giant dipole plasmon resonance (GDPR). Almost linear increasing trend of the yields of single and double ionizations with projectile charge state is well reproduced by the single and double plasmon excitation mechanisms. The observed charge state independence of triple and quadruple ionization is in sharp contrast to the GDPR model.

Investigation of critical parameters controlling the efficiency of associative ionization

NASA Astrophysics Data System (ADS)

Le Padellec, A.; Launoy, T.; Dochain, A.; Urbain, X.

2017-05-01

This paper compiles our merged-beam experimental findings for the associative ionization (AI) process from charged reactants, with the aim of guiding future investigations with e.g. the double electrostatic ion storage ring DESIREE in Stockholm. A reinvestigation of the isotopic effect in H-(D-) + He+ collisions is presented, along with a review of {{{H}}}3+ and NO+ production by AI involving ion pairs or excited neutrals, and put in perspective with the mutual neutralization and radiative association reactions. Critical parameters are identified and evaluated for their systematic role in controlling the magnitude of the cross section: isotopic substitution, exothermicity, electronic state density, and spin statistics.

Plasma effect on fast-electron-impact-ionization from 2p state of hydrogen-like ions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Qi, Y. Y.; Ning, L. N.; Wang, J. G.

2013-12-15

Plasma effects on the high-energy electron-impact ionization process from 2p orbital of Hydrogen-like ions embedded in weakly coupled plasmas are investigated in the first Born approximation. The plasma screening of the Coulomb interaction between charged particles is represented by the Debye Hückel model. The screening of Coulomb interactions decreases the ionization energies and varies the wave functions for not only the bound orbital but also the continuum; the number of the summation for the angular-momentum states in the generalized oscillator strength densities is reduced with the plasma screening stronger when the ratio of ε/I{sub 2p} (I{sub 2p} is the ionizationmore » energy of 2p state and ε is the energy of the continuum electron) is kept, and then the contribution from the lower-angular-momentum states dominates the generalized oscillator strength densities, so the threshold phenomenon in the generalized oscillator strength densities and the double differential cross sections are remarkable: The accessional minima, the outstanding enhancement, and the resonance peaks emerge a certain energy region, whose energy position and width are related to the vicinity between δ and the critical value δ{sub nl}{sup c}, corresponding to the special plasma condition when the bound state |nl just enters the continuum; the multiple virtual-state enhancement and the multiple shape resonances in a certain energy domain also appear in the single differential cross section whenever the plasma screening parameter passes through a critical value δ{sub nl}{sup c}, which is similar to the photo-ionization process but different from it, where the dipole transition only happens, but multi-pole transition will occur in the electron-impact ionization process, so its multiple virtual-state enhancements and the multiple shape resonances appear more frequently than the photo-ionization process.« less

Double-frequency microwave ionization of Na

NASA Astrophysics Data System (ADS)

Ruff, G. A.; Dietrick, K. M.; Gallagher, T. F.

1990-11-01

We report the ionization of Na atoms by the simultaneous application of microwave fields of two different frequencies. We conclude that the salient features of double-frequency ionization can be readily understood. Both the hydrogenlike ||m||=2 states and the nonhydrogenic ||m||=0 and 1 states ionize when the sum of the field amplitudes, the peak field, reaches the field required for ionization by a single microwave frequency, E=1/9n4 and E=1/3n5, respectively.

Equation-of-motion coupled-cluster method for doubly ionized states with spin-orbit coupling.

PubMed

Wang, Zhifan; Hu, Shu; Wang, Fan; Guo, Jingwei

2015-04-14

In this work, we report implementation of the equation-of-motion coupled-cluster method for doubly ionized states (EOM-DIP-CC) with spin-orbit coupling (SOC) using a closed-shell reference. Double ionization potentials (DIPs) are calculated in the space spanned by 2h and 3h1p determinants with the EOM-DIP-CC approach at the CC singles and doubles level (CCSD). Time-reversal symmetry together with spatial symmetry is exploited to reduce computational effort. To circumvent the problem of unstable dianion references when diffuse basis functions are included, nuclear charges are scaled. Effect of this stabilization potential on DIPs is estimated based on results from calculations using a small basis set without diffuse basis functions. DIPs and excitation energies of some low-lying states for a series of open-shell atoms and molecules containing heavy elements with two unpaired electrons have been calculated with the EOM-DIP-CCSD approach. Results show that this approach is able to afford a reliable description on SOC splitting. Furthermore, the EOM-DIP-CCSD approach is shown to provide reasonable excitation energies for systems with a dianion reference when diffuse basis functions are not employed.

Equation-of-motion coupled-cluster method for doubly ionized states with spin-orbit coupling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Zhifan; Hu, Shu; Guo, Jingwei

2015-04-14

In this work, we report implementation of the equation-of-motion coupled-cluster method for doubly ionized states (EOM-DIP-CC) with spin-orbit coupling (SOC) using a closed-shell reference. Double ionization potentials (DIPs) are calculated in the space spanned by 2h and 3h1p determinants with the EOM-DIP-CC approach at the CC singles and doubles level (CCSD). Time-reversal symmetry together with spatial symmetry is exploited to reduce computational effort. To circumvent the problem of unstable dianion references when diffuse basis functions are included, nuclear charges are scaled. Effect of this stabilization potential on DIPs is estimated based on results from calculations using a small basis setmore » without diffuse basis functions. DIPs and excitation energies of some low-lying states for a series of open-shell atoms and molecules containing heavy elements with two unpaired electrons have been calculated with the EOM-DIP-CCSD approach. Results show that this approach is able to afford a reliable description on SOC splitting. Furthermore, the EOM-DIP-CCSD approach is shown to provide reasonable excitation energies for systems with a dianion reference when diffuse basis functions are not employed.« less

Ionization of pyridine: Interplay of orbital relaxation and electron correlation.

PubMed

Trofimov, A B; Holland, D M P; Powis, I; Menzies, R C; Potts, A W; Karlsson, L; Gromov, E V; Badsyuk, I L; Schirmer, J

2017-06-28

The valence shell ionization spectrum of pyridine was studied using the third-order algebraic-diagrammatic construction approximation scheme for the one-particle Green's function and the outer-valence Green's function method. The results were used to interpret angle resolved photoelectron spectra recorded with synchrotron radiation in the photon energy range of 17-120 eV. The lowest four states of the pyridine radical cation, namely, 2 A 2 (1a 2 -1 ), 2 A 1 (7a 1 -1 ), 2 B 1 (2b 1 -1 ), and 2 B 2 (5b 2 -1 ), were studied in detail using various high-level electronic structure calculation methods. The vertical ionization energies were established using the equation-of-motion coupled-cluster approach with single, double, and triple excitations (EOM-IP-CCSDT) and the complete basis set extrapolation technique. Further interpretation of the electronic structure results was accomplished using Dyson orbitals, electron density difference plots, and a second-order perturbation theory treatment for the relaxation energy. Strong orbital relaxation and electron correlation effects were shown to accompany ionization of the 7a 1 orbital, which formally represents the nonbonding σ-type nitrogen lone-pair (nσ) orbital. The theoretical work establishes the important roles of the π-system (π-π* excitations) in the screening of the nσ-hole and of the relaxation of the molecular orbitals in the formation of the 7a 1 (nσ) -1 state. Equilibrium geometric parameters were computed using the MP2 (second-order Møller-Plesset perturbation theory) and CCSD methods, and the harmonic vibrational frequencies were obtained at the MP2 level of theory for the lowest three cation states. The results were used to estimate the adiabatic 0-0 ionization energies, which were then compared to the available experimental and theoretical data. Photoelectron anisotropy parameters and photoionization partial cross sections, derived from the experimental spectra, were compared to predictions obtained with the continuum multiple scattering approach.

Disentangling formation of multiple-core holes in aminophenol molecules exposed to bright X-FEL radiation

NASA Astrophysics Data System (ADS)

Zhaunerchyk, V.; Kamińska, M.; Mucke, M.; Squibb, R. J.; Eland, J. H. D.; Piancastelli, M. N.; Frasinski, L. J.; Grilj, J.; Koch, M.; McFarland, B. K.; Sistrunk, E.; Gühr, M.; Coffee, R. N.; Bostedt, C.; Bozek, J. D.; Salén, P.; Meulen, P. v. d.; Linusson, P.; Thomas, R. D.; Larsson, M.; Foucar, L.; Ullrich, J.; Motomura, K.; Mondal, S.; Ueda, K.; Richter, R.; Prince, K. C.; Takahashi, O.; Osipov, T.; Fang, L.; Murphy, B. F.; Berrah, N.; Feifel, R.

2015-12-01

Competing multi-photon ionization processes, some leading to the formation of double core hole states, have been examined in 4-aminophenol. The experiments used the linac coherent light source (LCLS) x-ray free electron laser, in combination with a time-of-flight magnetic bottle electron spectrometer and the correlation analysis method of covariance mapping. The results imply that 4-aminophenol molecules exposed to the focused x-ray pulses of the LCLS sequentially absorb more than two x-ray photons, resulting in the formation of multiple core holes as well as in the sequential removal of photoelectrons and Auger electrons (so-called PAPA sequences).

Disentangling formation of multiple-core holes in aminophenol molecules exposed to bright X-FEL radiation

DOE PAGES

Zhaunerchyk, V.; Kaminska, M.; Mucke, M.; ...

2015-10-28

Competing multi-photon ionization processes, some leading to the formation of double core hole states, have been examined in 4-aminophenol. The experiments used the linac coherent light source (LCLS) x-ray free electron laser, in combination with a time-of-flight magnetic bottle electron spectrometer and the correlation analysis method of covariance mapping. Furthermore, the results imply that 4-aminophenol molecules exposed to the focused x-ray pulses of the LCLS sequentially absorb more than two x-ray photons, resulting in the formation of multiple core holes as well as in the sequential removal of photoelectrons and Auger electrons (so-called PAPA sequences).

Inversion of the resonance line of Sr/+/ produced by optically pumping Sr atoms

NASA Technical Reports Server (NTRS)

Green, W. R.; Falcone, R. W.

1978-01-01

A description is presented of an experiment which demonstrates the selective production of excited-state ions by an optical absorption from neutrals. An inversion on the resonance line of Sr(+) was produced by laser excitation of a two-electron transition, followed by ionization of one of the excited electrons by the same laser. A pulsed, mode-locked laser operating at 2680 A was used to excite atoms from the Sr ground level. The same laser then ionized the excited atoms. The 2680-A pump beam was generated by frequency doubling the output of a synchronously pumped mode-locked dye laser in a KDP crystal. It is pointed out that the reported results are significant for the construction of vacuum-ultraviolet and X-ray lasers. Many of the proposed methods for making such lasers depend on the selective production of excited-state ions.

Ionization energies and electron affinities from a random-phase-approximation many-body Green's-function method including exchange interactions

NASA Astrophysics Data System (ADS)

Heßelmann, Andreas

2017-06-01

A many-body Green's-function method employing an infinite order summation of ring and exchange-ring contributions to the self-energy is presented. The individual correlation and relaxation contributions to the quasiparticle energies are calculated using an iterative scheme which utilizes density fitting of the particle-hole, particle-particle and hole-hole densities. It is shown that the ionization energies and electron affinities of this approach agree better with highly accurate coupled-cluster singles and doubles with perturbative triples energy difference results than those obtained with second-order Green's-function approaches. An analysis of the correlation and relaxation terms of the self-energy for the direct- and exchange-random-phase-approximation (RPA) Green's-function methods shows that the inclusion of exchange interactions leads to a reduction of the two contributions in magnitude. These differences, however, strongly cancel each other when summing the individual terms to the quasiparticle energies. Due to this, the direct- and exchange-RPA methods perform similarly for the description of ionization energies (IPs) and electron affinities (EAs). The coupled-cluster reference IPs and EAs, if corrected to the adiabatic energy differences between the neutral and charged molecules, were shown to be in very good agreement with experimental measurements.

Norbornane: An investigation into its valence electronic structure using electron momentum spectroscopy, and density functional and Green's function theories

NASA Astrophysics Data System (ADS)

Knippenberg, S.; Nixon, K. L.; Brunger, M. J.; Maddern, T.; Campbell, L.; Trout, N.; Wang, F.; Newell, W. R.; Deleuze, M. S.; Francois, J.-P.; Winkler, D. A.

2004-12-01

We report on the results of an exhaustive study of the valence electronic structure of norbornane (C7H12), up to binding energies of 29 eV. Experimental electron momentum spectroscopy and theoretical Green's function and density functional theory approaches were all utilized in this investigation. A stringent comparison between the electron momentum spectroscopy and theoretical orbital momentum distributions found that, among all the tested models, the combination of the Becke-Perdew functional and a polarized valence basis set of triple-ζ quality provides the best representation of the electron momentum distributions for all of the 20 valence orbitals of norbornane. This experimentally validated quantum chemistry model was then used to extract some chemically important properties of norbornane. When these calculated properties are compared to corresponding results from other independent measurements, generally good agreement is found. Green's function calculations with the aid of the third-order algebraic diagrammatic construction scheme indicate that the orbital picture of ionization breaks down at binding energies larger than 22.5 eV. Despite this complication, they enable insights within 0.2 eV accuracy into the available ultraviolet photoemission and newly presented (e,2e) ionization spectra, except for the band associated with the 1a2-1 one-hole state, which is probably subject to rather significant vibronic coupling effects, and a band at ˜25 eV characterized by a momentum distribution of "s-type" symmetry, which Green's function calculations fail to reproduce. We note the vicinity of the vertical double ionization threshold at ˜26 eV.

Solving the three-body Coulomb breakup problem using exterior complex scaling

DOE Office of Scientific and Technical Information (OSTI.GOV)

McCurdy, C.W.; Baertschy, M.; Rescigno, T.N.

2004-05-17

Electron-impact ionization of the hydrogen atom is the prototypical three-body Coulomb breakup problem in quantum mechanics. The combination of subtle correlation effects and the difficult boundary conditions required to describe two electrons in the continuum have made this one of the outstanding challenges of atomic physics. A complete solution of this problem in the form of a ''reduction to computation'' of all aspects of the physics is given by the application of exterior complex scaling, a modern variant of the mathematical tool of analytic continuation of the electronic coordinates into the complex plane that was used historically to establish themore » formal analytic properties of the scattering matrix. This review first discusses the essential difficulties of the three-body Coulomb breakup problem in quantum mechanics. It then describes the formal basis of exterior complex scaling of electronic coordinates as well as the details of its numerical implementation using a variety of methods including finite difference, finite elements, discrete variable representations, and B-splines. Given these numerical implementations of exterior complex scaling, the scattering wave function can be generated with arbitrary accuracy on any finite volume in the space of electronic coordinates, but there remains the fundamental problem of extracting the breakup amplitudes from it. Methods are described for evaluating these amplitudes. The question of the volume-dependent overall phase that appears in the formal theory of ionization is resolved. A summary is presented of accurate results that have been obtained for the case of electron-impact ionization of hydrogen as well as a discussion of applications to the double photoionization of helium.« less

Transition of recollision trajectories from linear to elliptical polarization

DOE PAGES

Li, Yingbin; Yu, Benhai; Tang, Qingbin; ...

2016-03-15

Using a classical ensemble method, we revisit the topic of recollision and nonsequential double ionization with elliptically polarized laser fields. We focus on how the recollision mechanism transitions from short trajectories with linear polarization to long trajectories with elliptical polarization. Furthermore, we propose how this transition can be observed by measuring the carrier-envelop-phase dependence of the correlated electron momentum spectra using currently available few-cycle laser pulses.

Photoabsorption cross section of acetylene in the EUV region

NASA Technical Reports Server (NTRS)

Wu, C. Y. R.; Judge, D. L.

1985-01-01

The measurement of the absolute photoabsorption cross sections of C2H2 in the 175-740 A region by means of a double ionization chamber is reported. The continuum background source is the synchrotron radiation emitted by the Wisconsin 240 MeV electron storage ring. It is found that the cross sections range from 2 to a maximum of 36 Mb. Two new Rydberg series are identified and the cross section data are applied in the analysis of various sum rules. From the rules, it is shown that the data of C2H2 in the 580-1088 A range may be too low, while the measured ionization transition moment may be too high.

Scintillating fibres coupled to silicon photomultiplier prototypes for fast beam monitoring and thin timing detectors

NASA Astrophysics Data System (ADS)

Papa, A.; Kettle, P.-R.; Ripiccini, E.; Rutar, G.

2016-07-01

Several scintillating fibre prototypes (single- and double-layers) made of 250 μm multi-clad square fibres coupled to silicon photomultiplier have been studied using electrons, positrons and muons at different energies. Current measurements show promising results: already for a single fibre layer and minimum ionizing particles we obtain a detection efficiency ≥ 95 % (mean collected light/fibre ≈ 8 phe), a timing resolution of 550 ps/fibre and a foreseen spatial resolution < 100 μm, based on the achieved negligible optical cross-talk between fibres (< 1 %). We will also discuss the performances of a double-layer staggered prototype configuration, for which a full detection efficiency (≥ 99 %) has been measured together with a timing resolution of ≈ 400 ps for double hit events.

A Binary-Encounter-Bethe Approach to Simulate DNA Damage by the Direct Effect

NASA Technical Reports Server (NTRS)

Plante, Ianik; Cucinotta, Francis A.

2013-01-01

The DNA damage is of crucial importance in the understanding of the effects of ionizing radiation. The main mechanisms of DNA damage are by the direct effect of radiation (e.g. direct ionization) and by indirect effect (e.g. damage by.OH radicals created by the radiolysis of water). Despite years of research in this area, many questions on the formation of DNA damage remains. To refine existing DNA damage models, an approach based on the Binary-Encounter-Bethe (BEB) model was developed[1]. This model calculates differential cross sections for ionization of the molecular orbitals of the DNA bases, sugars and phosphates using the electron binding energy, the mean kinetic energy and the occupancy number of the orbital. This cross section has an analytic form which is quite convenient to use and allows the sampling of the energy loss occurring during an ionization event. To simulate the radiation track structure, the code RITRACKS developed at the NASA Johnson Space Center is used[2]. This code calculates all the energy deposition events and the formation of the radiolytic species by the ion and the secondary electrons as well. We have also developed a technique to use the integrated BEB cross section for the bases, sugar and phosphates in the radiation transport code RITRACKS. These techniques should allow the simulation of DNA damage by ionizing radiation, and understanding of the formation of double-strand breaks caused by clustered damage in different conditions.

Electron kinetics at the plasma interface

NASA Astrophysics Data System (ADS)

Bronold, Franz Xaver; Fehske, Holger; Pamperin, Mathias; Thiessen, Elena

2018-05-01

The most fundamental response of an ionized gas to a macroscopic object is the formation of the plasma sheath. It is an electron depleted space charge region, adjacent to the object, which screens the object's negative charge arising from the accumulation of electrons from the plasma. The plasma sheath is thus the positively charged part of an electric double layer whose negatively charged part is inside the wall. In the course of the Transregional Collaborative Research Center SFB/TRR24 we investigated, from a microscopic point of view, the elementary charge transfer processes responsible for the electric double layer at a floating plasma-wall interface and made first steps towards a description of the negative part of the layer inside the wall. Below we review our work in a colloquial manner, describe possible extensions, and identify key issues which need to be resolved to make further progress in the understanding of the electron kinetics across plasma-wall interfaces. Contribution to the Topical Issue "Fundamentals of Complex Plasmas", edited by Jürgen Meichsner, Michael Bonitz, Holger Fehske, Alexander Piel.

Creating space plasma from the ground

NASA Astrophysics Data System (ADS)

Carlson, H. C.; Djuth, F. T.; Zhang, L. D.

2017-01-01

We have performed an experiment to compare as directly as realizable the ionization production rate by HF radio wave energy versus by solar EUV. We take advantage of the commonality that ionization production by both ground-based high-power HF radio waves and by solar EUV is driven by primary and secondary suprathermal electrons near and above 20 eV. Incoherent scatter radar (ISR) plasma-line amplitudes are used as a measure of suprathermal electron fluxes for ISR wavelengths near those for 430 MHz and are indeed a clean measure of such for those fluxes sufficiently weak to have negligible self-damping. We present data from an HF heating experiment on November 2015 at Arecibo, which even more directly confirm the only prior midlatitude estimate, of order 10% efficiency for conversion of HF energy to ionospheric ionization. We note the theoretical maximum possible is 1/3, while 1% or less reduces the question to near practical irrelevance. Our measurements explicitly confirm the prediction that radio-frequency production of artificial ionospheres can be practicable, even at midlatitudes. Furthermore, that this midlatitude efficiency is comparable to efficiencies measured at high latitudes (which include enhancements unique to high latitudes including magnetic zenith effect, gyrofrequency multiples, and double resonances) requires reexamination of current theoretical thinking about soft-electron acceleration processes in weakly magnetized plasmas. The implications are that electron acceleration by any of a variety of processes may be a fundamental underpinning to energy redistribution in space plasmas.

Study of Pulsed vs. RF Plasma Properties for Surface Processing Applications

NASA Astrophysics Data System (ADS)

Tang, Ricky; Hopkins, Matthew; Barnat, Edward; Miller, Paul

2015-09-01

The ability to manipulate the plasma parameters (density, E/N) was previously demonstrated using a double-pulsed column discharge. Experiments extending this to large-surface plasmas of interest to the plasma processing community were conducted. Differences between an audio-frequency pulsed plasma and a radio-frequency (rf) discharge, both prevalent in plasma processing applications, were studied. Optical emission spectroscopy shows higher-intensity emission in the UV/visible range for the pulsed plasma comparing to the rf plasma at comparable powers. Data suggest that the electron energy is higher for the pulsed plasma leading to higher ionization, resulting in increased ion density and ion flux. Diode laser absorption measurements of the concentration of the 1S5 metastable and 1S4 resonance states of argon (correlated with the plasma E/N) provide comparisons between the excitation/ionization states of the two plasmas. Preliminary modeling efforts suggest that the low-frequency polarity switch causes a much more abrupt potential variation to support interesting transport phenomena, generating a ``wave'' of higher temperature electrons leading to more ionization, as well as ``sheath capture'' of a higher density bolus of ions that are then accelerated during polarity switch.

UV + V UV double-resonance studies of autoionizing Rydberg states of the hydroxyl radical

DOE Office of Scientific and Technical Information (OSTI.GOV)

Green, Amy M.; Liu, Fang; Lester, Marsha I., E-mail: milester@sas.upenn.edu

2016-05-14

The hydroxyl radical (OH) is a key oxidant in atmospheric and combustion chemistry. Recently, a sensitive and state-selective ionization method has been developed for detection of the OH radical that utilizes UV excitation on the A{sup 2}Σ{sup +}–X{sup 2}Π transition followed by fixed 118 nm vacuum ultraviolet (VUV) radiation to access autoionizing Rydberg states [J. M. Beames et al., J. Chem. Phys. 134, 241102 (2011)]. The present study uses tunable VUV radiation generated by four-wave mixing to examine the origin of the enhanced ionization efficiency observed for OH radicals prepared in specific A{sup 2}Σ{sup +} intermediate levels. The enhancement ismore » shown to arise from resonant excitation to distinct rotational and fine structure levels of two newly identified {sup 2}Π Rydberg states with an A{sup 3}Π cationic core and a 3d electron followed by ionization. Spectroscopic constants are derived and effects due to uncoupling of the Rydberg electron are revealed for the OH {sup 2}Π Rydberg states. The linewidths indicate a Rydberg state lifetime due to autoionization on the order of a picosecond.« less

Energy and angular distribution of electrons ejected from water by the impact of fast O8+ ion beams

NASA Astrophysics Data System (ADS)

Bhattacharjee, Shamik; Bagdia, Chandan; Chowdhury, Madhusree Roy; Monti, Juan M.; Rivarola, Roberto D.; Tribedi, Lokesh C.

2018-01-01

Double differential cross sections (DDCS) of electrons emitted from vapor water molecules (in vapor phase) by 2.0 MeV/u and 3.75 MeV/u bare oxygen ion impact have been measured by continuum electron spectroscopy technique. The ejected electrons were detected by an electrostatic hemispherical deflection analyzer over an energy range of 1-600 eV and emission angles from 20∘ to 160∘. The DDCS data has been compared with the continuum-distorted-wave-eikonal-initial state (CDW-EIS) approximation and a reasonable agreement was found with both version of the models i.e. post and prior version. By numerical integration of the DDCS data, the single differential cross section (SDCS) and total ionization cross section (TCS) were obtained. The obtained TCS results were compared with other available TCS results for water target within the same energy range. The total ionization cross sections values are seen to saturate as the projectile charge state ( q p ) increases, which is in contrast to the first-Born predicted q p 2 dependence. This is also in contrast to the prediction of the CDW-EIS models.

PIC Modeling of Argon Plasma Flow in MNX

NASA Astrophysics Data System (ADS)

Cohen, Samuel; Sefkow, Adam

2007-11-01

A linear helicon-heated plasma device - the Magnetic Nozzle Experiment (MNX) at the Princeton Plasma Physics Laboratory - is used for studies of the formation of strong electrostatic double layers near mechanical and magnetic apertures and the acceleration of plasma ions into supersonic directed beams. In order to characterize the role of the aperture and its involvement with ion acceleration, detailed particle-in-cell simulations are employed to study the effects of the surrounding boundary geometry on the plasma dynamics near the aperture region, within which the transition from a collisional to collisionless regime occurs. The presence of a small superthermal electron population is examined, and the model includes a background neutral population which can be ionized by energetic electrons. By self-consistently evaluating the temporal evolution of the plasma in the vicinity of the aperture, the formation mechanism of the double layer is investigated.

A magnetic-bottle multi-electron-ion coincidence spectrometer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Matsuda, Akitaka; Hishikawa, Akiyoshi; Department of Chemistry, Nagoya University, Furo-cho, Chikusa, Nagoya, Aichi 464-8602

2011-10-15

A novel multi-electron-ion coincidence spectrometer developed on the basis of a 1.5 m-long magnetic-bottle electron spectrometer is presented. Electrons are guided by an inhomogeneous magnetic field to a detector at the end of the flight tube, while a set of optics is used to extract counterpart ions to the same detector, by a pulsed inhomogeneous electric field. This setup allows ion detection with high mass resolution, without impairing the high collection efficiency for electrons. The performance of the coincidence spectrometer was tested with double ionization of carbon disulfide, CS{sub 2} {yields} CS{sub 2}{sup 2+} + e{sup -} + e{sup -},more » in ultrashort intense laser fields (2.8 x 10{sup 13} W/cm{sup 2}, 280 fs, 1030 nm) to clarify the electron correlation below the rescattering threshold.« less

Measurement of scintillation and ionization yield with high-pressure gaseous mixtures of Xe and TMA for improved neutrinoless double beta decay and dark matter searches

DOE PAGES

Nakajima, Y.; Goldschmidt, A.; Matis, H. S.; ...

2016-03-18

The gaseous Xenon(Xe) time projection chamber (TPC) is an attractive detector technique for neutrinoless double beta decay and WIMP dark matter searches. While it is less dense compared to Liquid Xe detectors, it has intrinsic advantages in tracking capability and better energy resolution. The performance of gaseous Xe can be further improved by molecular additives such as trimethylamine(TMA), which is expected to (1) cool down the ionization electrons, (2) convert Xe excitation energy to TMA ionizations through Penning transfer, and (3) produce scintillation and electroluminescence light in a more easily detectable wavelength (300 nm). In order to test the feasibilitymore » of the performance improvements with TMA, in this paper we made the first direct measurement of Penning and fluorescence transfer efficiency with gaseous mixtures of Xe and TMA. While we observed a Penning transfer efficiency up to ~35%, we found strong suppression of primary scintillation light with TMA. We also found that the primary scintillation light with Xe and TMA mixture can be well characterized by ~3% fluorescence transfer from Xe to TMA, with further suppression due to TMA self-quenching. No evidence of the scintillation light produced by recombination of TMA ions was found. This strong suppression of scintillation light makes dark matter searches quite challenging, while the possibility of improved neutrinoless double beta decay searches remains open. Finally, this work has been carried out within the context of the NEXT collaboration.« less

Fluid simulation of species concentrations in capacitively coupled N2/Ar plasmas: Effect of gas proportion

NASA Astrophysics Data System (ADS)

Liang, Ying-Shuang; Liu, Gang-Hu; Xue, Chan; Liu, Yong-Xin; Wang, You-Nian

2017-05-01

A two-dimensional self-consistent fluid model and the experimental diagnostic are employed to investigate the dependencies of species concentrations on the gas proportion in the capacitive N2/Ar discharges operated at 60 MHz, 50 Pa, and 140 W. The results indicate that the N2/Ar proportion has a considerable impact on the species densities. As the N2 fraction increases, the electron density, as well as the Ar+ and Arm densities, decreases remarkably. On the contrary, the N2 + density is demonstrated to increase monotonically with the N2 fraction. Moreover, the N density is observed to increase significantly with the N2 fraction at the N2 fractions below 40%, beyond which it decreases slightly. The electrons are primarily generated via the electron impact ionization of the feed gases. The electron impact ionization of Ar essentially determines the Ar+ density. For the N2 + production, the charge transition process between the Ar+ ions and the feed gas N2 dominates at low N2 fraction, while the electron impact ionization of N2 plays the more important role at high N2 fraction. At any gas mixtures, more than 60% Arm atoms are generated through the radiative decay process from Ar(4p). The dissociation of the feed gas N2 by the excited Ar atoms and by the electrons is responsible for the N formation at low N2 fraction and high N2 fraction, respectively. To validate the simulation results, the floating double probe and the optical emission spectroscopy are employed to measure the total positive ion density and the emission intensity originating from Ar(4p) transitions, respectively. The results from the simulation show a qualitative agreement with that from the experiment, which indicates the reliable model.

Theory and Simulation of Electron Sheaths and Anode Spots in Low Pressure Laboratory Plasmas

NASA Astrophysics Data System (ADS)

Scheiner, Brett Stanford

Electrodes in low pressure laboratory plasmas have a multitude of possible sheath structures when biased at a large positive potential. When the size of the electrode is small enough the electrode bias can be above the plasma potential. When this occurs an electron-rich sheath called an electron sheath is present at the electrode. Electron sheaths are most commonly found near Langmuir probes and other electrodes collecting the electron saturation current. Such electrodes have applications in the control of plasma parameters, dust confinement and circulation, control of scrape off layer plasmas, RF plasmas, and in plasma contactors and tethered space probes. The electron sheaths in these various systems most directly influence the plasma by determining how electron current is lost from the system. An understanding of how the electron sheath interfaces with the bulk plasma is necessary for understanding the behavior induced by positively biased electrodes in these plasmas. This thesis provides a dedicated theory of electron sheaths. Motivated by electron velocity distribution functions (EVDFs) observed in particle-in-cell (PIC) simulations, a 1D model for the electron sheath and presheath is developed. In the presheath model, an electron pressure gradient accelerates electrons to near the electron thermal speed by the sheath edge. This pressure gradient generates large flow velocities compared to what would be generated by ballistic motion in response to the electric field. Using PIC simulations, the form of a sheath near a small electrode with bias near the plasma potential is also studied. When the electrode is biased near the plasma potential, the EVDFs exhibit a loss-cone type truncation due to fast electrons overcoming the small potential difference between the electrode and plasma. No sheath is present in this regime, instead the plasma remains quasineutral up to the electrode. Once the bias exceeds the plasma potential an electron sheath is present. In this case, 2D EVDFs indicate that the flow moment has comparable contributions from the flow shift and loss-cone truncation. The case of an electrode at large positive bias relative to the plasma potential is also studied. Here, the rate of electron impact ionization of neutrals increases near the electrode. If this ionization rate is great enough a double layer forms. This double layer can move outward separating a high potential plasma at the electrode surface from the bulk plasma. This phenomenon is known as an anode spot. Informed by observations from the first PIC simulations of an anode spot, a model has been developed describing the onset in which ionization leads to the buildup of positive space charge and the formation of a potential well that traps electrons near the electrode surface. A model for steady-state properties based on current loss, power, and particle balance of the anode spot plasma is also presented.

Strong-field ionization of Li and Be: a time-dependent density functional theory with self-interaction correction

NASA Astrophysics Data System (ADS)

Telnov, Dmitry A.; Heslar, John T.; Chu, Shih-I.

2011-11-01

In the framework of the time-dependent density functional theory, we have performed 3D calculations of multiphoton ionization of Li and Be atoms by strong near-infrared laser fields. The results for the intensity-dependent probabilities of single and double ionization are presented. We make use of the time-dependent Krieger-Li-Iafrate exchange-correlation potential with self-interaction correction (TD-KLI-SIC). Such a potential possesses an integer discontinuity which improves description of the ionization process. However, we have found that the discontinuity of the TD-KLI-SIC potential is not sufficient to reproduce characteristic feature of double ionization.

Dependence of the correlated-momentum patterns in double ionization on the carrier-envelope phase and intensity of a few-cycle laser pulse

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xin, G. G.; Ye, D. F.; Graduate School, China Academy of Engineering Physics, Beijing 100088

2010-12-15

In the present paper, we investigate the correlated electron emission of atoms irradiated by a few-cycle laser pulse, with emphasis on the correlated longitudinal momentum spectra. We find that the spectra show clear v-shaped structures, in analogy to what was observed recently in long-pulse experiments. Moreover, the patterns of the spectra depend sensitively on the carrier-envelope phase as well as the laser intensity. The v-shaped structure is more pronounced at lower and higher intensities and becomes obscure at medium intensity. At a lower intensity, upon change of the phase from 0 to {pi}/2, the v-shaped structure shifts from the firstmore » quadrant to the third quadrant and the ratios between the double ionization yields in the first and third quadrants are found to increase by a few orders of magnitude. The semiclassical rescattering model is exploited in the preceding calculations and the underlying mechanisms are uncovered by analyzing the subcycle dynamics of classical trajectories.« less

Quasi Sturmian basis for the two-electon continuum

NASA Astrophysics Data System (ADS)

Zaytsev, A. S.; Ancarani, L. U.; Zaytsev, S. A.

2016-02-01

A new type of basis functions is proposed to describe a two-electron continuum which arises as a final state in electron-impact ionization and double photoionization of atomic systems. We name these functions, which are calculated in terms of the recently introduced quasi Sturmian functions, Convoluted Quasi Sturmian functions (CQS); by construction, they look asymptotically like a six-dimensional spherical wave. The driven equation describing an ( e, 3 e) process on helium in the framework of the Temkin-Poet model is solved numerically in the entire space (rather than in a finite region of space) using expansions on CQS basis functions. We show that quite rapid convergence of the solution expansion can be achieved by multiplying the basis functions by the logarithmic phase factor corresponding to the Coulomb electron-electron interaction.

Double ionization of nitrogen molecules in orthogonal two-color femtosecond laser fields

NASA Astrophysics Data System (ADS)

Song, Qiying; Li, Hui; Wang, Junping; Lu, Peifen; Gong, Xiaochun; Ji, Qinying; Lin, Kang; Zhang, Wenbin; Ma, Junyang; Li, Hanxiao; Zeng, Heping; He, Feng; Wu, Jian

2018-04-01

Double ionization of nitrogen molecules in orthogonally polarized two-color femtosecond laser fields is investigated by varying the relative intensity between the fundamental wave (FW) and its second harmonic (SH) components. The yield ratios of the double ionization channels, i.e., the non-dissociative {{{{N}}}2}2+ and Coulomb exploded (N+, N+), to the singly charged N2 + channel exhibit distinct dependences on the relative strength between the FW and SH fields. As the intensity ratio of SH to FW increases, the yield ratio of (N+, N+)/N2 + gradually increases, while the ratio of {{{{N}}}2}2+/N2 + first descends and then increases constituting a valley shape which is similar to the behavior of Ar2+/Ar+ observed in the same experimental condition. Based on the classical trajectory simulations, we found that the different characteristics of the two doubly ionized channels stem from two mechanisms, i.e., the {{{{N}}}2}2+ is mostly accessed by the (e, 2e) impact ionization while the recollision-induced excitation with subsequent ionization plays an important role in producing the (N+, N+) channel.

Multiple core-hole formation by free-electron laser radiation in molecular nitrogen

NASA Astrophysics Data System (ADS)

Banks, H. I. B.; Little, D. A.; Emmanouilidou, A.

2018-05-01

We investigate the formation of multiple-core-hole states of molecular nitrogen interacting with a free-electron laser pulse. In previous work, we obtained bound and continuum molecular orbitals in the single-center expansion scheme and used these orbitals to calculate photo-ionization and auger decay rates. We extend our formulation to track the proportion of the population that accesses single-site versus two-site double-core-hole (TSDCH) states, before the formation of the final atomic ions. We investigate the pulse parameters that favor the formation of the single-site and TSDCH as well as triple-core-hole states for 525 and 1100 eV photons.

Electron beam induced deposition of silacyclohexane and dichlorosilacyclohexane: the role of dissociative ionization and dissociative electron attachment in the deposition process.

PubMed

P, Ragesh Kumar T; Hari, Sangeetha; Damodaran, Krishna K; Ingólfsson, Oddur; Hagen, Cornelis W

2017-01-01

We present first experiments on electron beam induced deposition of silacyclohexane (SCH) and dichlorosilacyclohexane (DCSCH) under a focused high-energy electron beam (FEBID). We compare the deposition dynamics observed when growing pillars of high aspect ratio from these compounds and we compare the proximity effect observed for these compounds. The two precursors show similar behaviour with regards to fragmentation through dissociative ionization in the gas phase under single-collision conditions. However, while DCSCH shows appreciable cross sections with regards to dissociative electron attachment, SCH is inert with respect to this process. We discuss our deposition experiments in context of the efficiency of these different electron-induced fragmentation processes. With regards to the deposition dynamics, we observe a substantially faster growth from DCSCH and a higher saturation diameter when growing pillars with high aspect ratio. However, both compounds show similar behaviour with regards to the proximity effect. With regards to the composition of the deposits, we observe that the C/Si ratio is similar for both compounds and in both cases close to the initial molecular stoichiometry. The oxygen content in the DCSCH deposits is about double that of the SCH deposits. Only marginal chlorine is observed in the deposits of from DCSCH. We discuss these observations in context of potential approaches for Si deposition.

New Insights into the Mechanism Underlying the Synergistic Action of Ionizing Radiation With Platinum Chemotherapeutic Drugs: The Role of Low-Energy Electrons

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rezaee, Mohammad, E-mail: Mohammad.Rezaee@USherbrooke.ca; Hunting, Darel John; Sanche, Léon

Purpose: To investigate the efficiencies of platinum chemotherapeutic drugs (Pt-drugs) in the sensitization of DNA to the direct effects of ionizing radiation and to determine the role of low-energy electrons (LEEs) in this process. Methods and Materials: Complexes of supercoiled plasmid DNA covalently bound to either cisplatin, carboplatin, or oxaliplatin were prepared in different molar ratios. Solid films of DNA and DNA modified by Pt-drugs were irradiated with either 10-KeV or 10-eV electrons. Damages to DNA were quantified by gel electrophoresis, and the yields for damage formation were obtained from exposure–response curves. Results: The presence of an average of 2more » Pt-drug–DNA adducts (Pt-adducts) in 3199-bp plasmid DNA increases the probability of a double-strand break by factors of 3.1, 2.5, and 2.4 for carboplatin, cisplatin, and oxaliplatin, respectively. Electrons with energies of 10 eV and 10 KeV interact with Pt-adducts to preferentially enhance the formation of cluster lesions. The maximum increase in radiosensitivity per Pt-adduct is found at ratios up to 3.1 × 10{sup −4} Pt-adducts per nucleotide, which is equivalent to an average of 2 adducts per plasmid. Carboplatin and oxaliplatin show higher efficiencies than cisplatin in the radiosensitization of DNA. Because carboplatin and cisplatin give rise to identical reactive species that attach to DNA, carboplatin must be considered as a better radiosensitizer for equal numbers of Pt-adducts. Conclusion: Platinum chemotherapeutic drugs preferentially enhance the formation of cluster damage to DNA induced by the direct effect of ionizing radiation, and LEEs are the main species responsible for such an enhancement via the formation of electron resonances.« less

New insights into the mechanism underlying the synergistic action of ionizing radiation with platinum chemotherapeutic drugs: the role of low-energy electrons.

PubMed

Rezaee, Mohammad; Hunting, Darel John; Sanche, Léon

2013-11-15

To investigate the efficiencies of platinum chemotherapeutic drugs (Pt-drugs) in the sensitization of DNA to the direct effects of ionizing radiation and to determine the role of low-energy electrons (LEEs) in this process. Complexes of supercoiled plasmid DNA covalently bound to either cisplatin, carboplatin, or oxaliplatin were prepared in different molar ratios. Solid films of DNA and DNA modified by Pt-drugs were irradiated with either 10-KeV or 10-eV electrons. Damages to DNA were quantified by gel electrophoresis, and the yields for damage formation were obtained from exposure-response curves. The presence of an average of 2 Pt-drug-DNA adducts (Pt-adducts) in 3199-bp plasmid DNA increases the probability of a double-strand break by factors of 3.1, 2.5, and 2.4 for carboplatin, cisplatin, and oxaliplatin, respectively. Electrons with energies of 10 eV and 10 KeV interact with Pt-adducts to preferentially enhance the formation of cluster lesions. The maximum increase in radiosensitivity per Pt-adduct is found at ratios up to 3.1×10(-4) Pt-adducts per nucleotide, which is equivalent to an average of 2 adducts per plasmid. Carboplatin and oxaliplatin show higher efficiencies than cisplatin in the radiosensitization of DNA. Because carboplatin and cisplatin give rise to identical reactive species that attach to DNA, carboplatin must be considered as a better radiosensitizer for equal numbers of Pt-adducts. Platinum chemotherapeutic drugs preferentially enhance the formation of cluster damage to DNA induced by the direct effect of ionizing radiation, and LEEs are the main species responsible for such an enhancement via the formation of electron resonances. Copyright © 2013 Elsevier Inc. All rights reserved.

New Insights into the Mechanism Underlying the Synergistic Action of Ionizing Radiation with Platinum Chemotherapeutic Drugs: The Role of Low-Energy Electrons

PubMed Central

Rezaee, Mohammad; Hunting, Darel John; Sanche, Léon

2013-01-01

Purpose To investigate the efficiencies of platinum chemotherapeutic drugs (Pt-drugs) in the sensitization of DNA to the direct effects of ionizing radiation and to determine the role of low-energy electrons (LEEs) in this process. Methods and Materials Complexes of supercoiled plasmid DNA covalently bound to either cisplatin, carboplatin or oxaliplatin were prepared in different molar ratios. Solid films of DNA and DNA modified by Pt-drugs were irradiated with either 10-KeV or 10-eV electrons. DNA damages were quantified by gel electrophoresis, and the yields for damage formation were obtained from exposure-response curves. Results The presence of an average of two Pt-adducts in 3199-bp plasmid DNA increases the probability of a double-strand break by factors of 3.1, 2.5 and 2.4 for carboplatin, cisplatin and oxaliplatin, respectively. Electrons with energies of 10-eV and 10-KeV interact with Pt-adducts to preferentially enhance the formation of cluster lesions. The maximum increase in radiosensitivity per Pt-adduct is found at ratios up to 3.1 × 10−4 Pt-adducts per nucleotide which is equivalent to an average of two adducts per plasmid. Carboplatin and oxaliplatin show higher efficiencies than cisplatin in the radiosensitization of DNA. Since carboplatin and cisplatin give rise to identical reactive species which attach to DNA, carboplatin must be considered as a better radiosensitizers for equal number of Pt-adducts. Conclusion Pt-drugs preferentially enhance the formation of cluster damage to DNA induced by the direct effect of ionizing radiation and LEEs are the main species responsible for such an enhancement via the formation of electron resonances. PMID:23910707

Influence of electron dynamics on the enhancement of double-pulse femtosecond laser-induced breakdown spectroscopy of fused silica

NASA Astrophysics Data System (ADS)

Cao, Zhitao; Jiang, Lan; Wang, Sumei; Wang, Mengmeng; Liu, Lei; Yang, Fan; Lu, Yongfeng

2018-03-01

Femtosecond laser pulse train induced breakdown of fused silica was studied by investigating its plasma emission and the ablated crater morphology. It was demonstrated that the electron dynamics in the ablated fused silica play a dominant role in the emission intensity of induced plasma and the volume of material removal, corresponding to the evolution of free-electron, self-trapped excitons, and the phase change of the fused silica left over by the first pulse. For a fluence of 11 J/cm2, the maximum plasma intensity of double-pulse irradiation at an interpulse delay of 120 ps was about 35 times stronger than that of a single-pulse, while the ablated crater was reduced by 27% in volume. The ionization of slow plume component generated by the first pulse was found to be the main reason for the extremely high intensity enhancement for an interpulse delay of over 10 ps. The results serve as a route to simultaneously increase the spatial resolution and plasma intensity in laser-induced breakdown spectroscopy of dielectrics.

Carbazole/triarylamine based polymers as a hole injection/transport layer in organic light emitting devices.

PubMed

Wang, Hui; Ryu, Jeong-Tak; Kwon, Younghwan

2012-05-01

This study examined the influence of the charge injection barriers on the performance of organic light emitting diodes (OLEDs) using polymers with a stepwise tuned ionization potential (I(p) approximately -5.01 - -5.29 eV) between the indium tin oxide (ITO) (phi approximately -4.8 eV) anode and tris(8-hydroxyquinolinato) aluminium (Alq3) (I(p) approximately -5.7 eV) layer. The energy levels of the polymers were tuned by structural modification. Double layer devices were fabricated with a configuration of ITO/polymer/Alq3/LiF/Al, where the polymers, Alq3, and LiF/Al were used as the hole injection/transport layer, emissive electron transport layer, and electron injection/cathode, respectively. Using the current density-voltage (J-V), luminescence-voltage (L-V) and efficiencies in these double layer devices, the device performance was evaluated in terms of the energy level alignments at the interfaces, such as the hole injection barriers (phi(h)(iTO/polymer) and phi(h)(polymer/Alq3)) from ITO through the polymers into the Alq3 layer, and the electron injection barrier (phi(e)(polymer/Alq3) or electron/exciton blocking barrier) at the polymer/Alq3 interface.

Transition from moving to stationary double layers in a single-ended Q machine

NASA Technical Reports Server (NTRS)

Song, Bin; Merlino, R. L.; D'Angelo, N.

1990-01-01

Large-amplitude (less than about 100 percent) relaxation oscillations in the plasma potential are known to be generated when the cold endplate of a single-ended Q machine is biased positively. These oscillations are associated with double layers that form near the hot plate (plasma source) and travel toward the endplate at about the ion-acoustic velocity. At the endplate they dissolve and then form again near the hot plate, the entire process repeating itself in a regular manner. By admitting a sufficient amount of neutral gas into the system, the moving double layers were slowed down and eventually stopped. The production of stationary double layers requires an ion source on the high-potential side of the double layers. These ions are provided by ionization of the neutral gas by electrons that are accelerated through the double layer. The dependence of the critical neutral gas pressure required for stationary double-layer formation on endplate voltage, magnetic field strength, and neutral atom mass has been examined. These results are discussed in terms of a simple model of ion production and loss, including ion losses across the magnetic field.

Core-core and core-valence correlation energy atomic and molecular benchmarks for Li through Ar

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ranasinghe, Duminda S.; Frisch, Michael J.; Petersson, George A., E-mail: gpetersson@wesleyan.edu

2015-12-07

We have established benchmark core-core, core-valence, and valence-valence absolute coupled-cluster single double (triple) correlation energies (±0.1%) for 210 species covering the first- and second-rows of the periodic table. These species provide 194 energy differences (±0.03 mE{sub h}) including ionization potentials, electron affinities, and total atomization energies. These results can be used for calibration of less expensive methodologies for practical routine determination of core-core and core-valence correlation energies.

Long-range Coulomb effect in above-threshold ionization of Ne subject to few-cycle and multicycle laser fields

NASA Astrophysics Data System (ADS)

Xu, SongPo; Quan, Wei; Chen, YongJu; Xiao, ZhiLei; Wang, YanLan; Kang, HuiPeng; Hua, LinQiang; Gong, Cheng; Lai, XuanYang; Liu, XiaoJun; Hao, XiaoLei; Hu, ShiLin; Chen, Jing

2017-06-01

The long-range Coulomb effect (LRCE) is demonstrated experimentally and theoretically by investigating the pulse duration dependence of low-energy structure (LES) in above-threshold ionization of Ne. It is found experimentally that at 800 nm the LES shows itself as a double-hump structure (DHS) in momentum distribution of singly charged ion for Ne, and moreover, this structure is more prominent for multicycle laser fields than for few-cycle cases. This result can be reproduced and explained qualitatively with a semiclassical model and attributed to the paramount role of LRCE. That is to say, after the laser field vanishes, the electrons decelerate while flying away from the core by the long-range tail of Coulomb potential, which eventually makes DHS less notable.

MIMAC-He3: MICRO-TPC MATRIX OF CHAMBERS OF 3He

NASA Astrophysics Data System (ADS)

Santos, D.; Guillaudin, O.; Lamy, Th.; Mayet, F.; Moulin, E.

2007-08-01

The project of a micro-TPC matrix of chambers of 3He for direct detection of non-baryonic dark matter is outlined. The privileged properties of 3He are highlighted. The double detection (ionization - projection of tracks) will assure the electron-recoil discrimination. The complementarity of MIMAC-He3 for supersymmetric dark matter search with respect to other experiments is illustrated. The modular character of the detector allows to have different gases to get A-dependence. The pressure degreee of freedom gives the possibility to work at high and low pressure. The low pressure regime gives the possibility to get the directionality of the tracks. The first measurements of ionization at very few keVs for 3He in 4He gas are described.

Density functional study of double ionization energies

NASA Astrophysics Data System (ADS)

Chong, D. P.

2008-02-01

In this paper, double ionization energies (DIEs) of gas-phase atoms and molecules are calculated by energy difference method with density functional theory. To determine the best functional for double ionization energies, we first study 24 main group atoms in the second, third, and fourth periods. An approximation is used in which the electron density is first obtained from a density functional computation with the exchange-correlation potential Vxc known as statistical average of orbital potentials, after which the energy is computed from that density with 59 different exchange-correlation energy functionals Exc. For the 24 atoms, the two best Exc functional providing DIEs with average absolute deviation (AAD) of only 0.25eV are the Perdew-Burke-Ernzerhof functional modified by Hammer et al. [Phys. Rev. B 59, 6413 (1999)] and one known as the Krieger-Chen-Iafrate-Savin functional modified by Krieger et al. (unpublished). Surprisingly, none of the 20 available hybrid functionals is among the top 15 functionals for the DIEs of the 24 atoms. A similar procedure is then applied to molecules, with opposite results: Only hybrid functionals are among the top 15 functionals for a selection of 29molecules. The best Exc functional for the 29molecules is found to be the Becke 1997 functional modified by Wilson et al. [J. Chem. Phys. 115, 9233 (2001)]. With that functional, the AAD from experiment for DIEs of 29molecules is just under 0.5eV. If the two suspected values for C2H2 and Fe(CO)5 are excluded, the AAD improves to 0.32eV. Many other hybrid functionals perform almost as well.

Attosecond time-energy structure of X-ray free-electron laser pulses

NASA Astrophysics Data System (ADS)

Hartmann, N.; Hartmann, G.; Heider, R.; Wagner, M. S.; Ilchen, M.; Buck, J.; Lindahl, A. O.; Benko, C.; Grünert, J.; Krzywinski, J.; Liu, J.; Lutman, A. A.; Marinelli, A.; Maxwell, T.; Miahnahri, A. A.; Moeller, S. P.; Planas, M.; Robinson, J.; Kazansky, A. K.; Kabachnik, N. M.; Viefhaus, J.; Feurer, T.; Kienberger, R.; Coffee, R. N.; Helml, W.

2018-04-01

The time-energy information of ultrashort X-ray free-electron laser pulses generated by the Linac Coherent Light Source is measured with attosecond resolution via angular streaking of neon 1s photoelectrons. The X-ray pulses promote electrons from the neon core level into an ionization continuum, where they are dressed with the electric field of a circularly polarized infrared laser. This induces characteristic modulations of the resulting photoelectron energy and angular distribution. From these modulations we recover the single-shot attosecond intensity structure and chirp of arbitrary X-ray pulses based on self-amplified spontaneous emission, which have eluded direct measurement so far. We characterize individual attosecond pulses, including their instantaneous frequency, and identify double pulses with well-defined delays and spectral properties, thus paving the way for X-ray pump/X-ray probe attosecond free-electron laser science.

NirN Protein from Pseudomonas aeruginosa is a Novel Electron-bifurcating Dehydrogenase Catalyzing the Last Step of Heme d1 Biosynthesis*

PubMed Central

Adamczack, Julia; Hoffmann, Martin; Papke, Ulrich; Haufschildt, Kristin; Nicke, Tristan; Bröring, Martin; Sezer, Murat; Weimar, Rebecca; Kuhlmann, Uwe; Hildebrandt, Peter; Layer, Gunhild

2014-01-01

Heme d1 plays an important role in denitrification as the essential cofactor of the cytochrome cd1 nitrite reductase NirS. At present, the biosynthesis of heme d1 is only partially understood. The last step of heme d1 biosynthesis requires a so far unknown enzyme that catalyzes the introduction of a double bond into one of the propionate side chains of the tetrapyrrole yielding the corresponding acrylate side chain. In this study, we show that a Pseudomonas aeruginosa PAO1 strain lacking the NirN protein does not produce heme d1. Instead, the NirS purified from this strain contains the heme d1 precursor dihydro-heme d1 lacking the acrylic double bond, as indicated by UV-visible absorption spectroscopy and resonance Raman spectroscopy. Furthermore, the dihydro-heme d1 was extracted from purified NirS and characterized by UV-visible absorption spectroscopy and finally identified by high-resolution electrospray ionization mass spectrometry. Moreover, we show that purified NirN from P. aeruginosa binds the dihydro-heme d1 and catalyzes the introduction of the acrylic double bond in vitro. Strikingly, NirN uses an electron bifurcation mechanism for the two-electron oxidation reaction, during which one electron ends up on its heme c cofactor and the second electron reduces the substrate/product from the ferric to the ferrous state. On the basis of our results, we propose novel roles for the proteins NirN and NirF during the biosynthesis of heme d1. PMID:25204657

Neutron-Impact Ionization of H and He

NASA Astrophysics Data System (ADS)

Lee, T.-G.; Ciappina, M. F.; Robicheaux, F.; Pindzola, M. S.

2014-05-01

Perturbative distorted-wave and non-perturbative close-coupling methods are used to study neutron-impact ionization of H and He. For single ionization of H, we find excellent agreement between the distorted-wave and close-coupling results at all incident energies. For double ionization of He, we find poor agreement between the distorted-wave and close-coupling results, except at the highest incident energies. We present the ratio of double to single ionization for He as a guide to experimental checks of theory at low energies and experimental confirmation of the rapid rise of the ratio at high energies. This work was supported in part by grants from NSF and US DoE. Computational work was carried out at NERSC in Oakland, California, NICS in Knoxville, Tennessee, and OLCF in Oak Ridge, Tennessee.

Ionizing radiation, ion transports, and radioresistance of cancer cells

PubMed Central

Huber, Stephan M.; Butz, Lena; Stegen, Benjamin; Klumpp, Dominik; Braun, Norbert; Ruth, Peter; Eckert, Franziska

2013-01-01

The standard treatment of many tumor entities comprises fractionated radiation therapy which applies ionizing radiation to the tumor-bearing target volume. Ionizing radiation causes double-strand breaks in the DNA backbone that result in cell death if the number of DNA double-strand breaks exceeds the DNA repair capacity of the tumor cell. Ionizing radiation reportedly does not only act on the DNA in the nucleus but also on the plasma membrane. In particular, ionizing radiation-induced modifications of ion channels and transporters have been reported. Importantly, these altered transports seem to contribute to the survival of the irradiated tumor cells. The present review article summarizes our current knowledge on the underlying mechanisms and introduces strategies to radiosensitize tumor cells by targeting plasma membrane ion transports. PMID:23966948

Relativistic equation-of-motion coupled-cluster method using open-shell reference wavefunction: Application to ionization potential

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pathak, Himadri, E-mail: hmdrpthk@gmail.com; Sasmal, Sudip, E-mail: sudipsasmal.chem@gmail.com; Vaval, Nayana

2016-08-21

The open-shell reference relativistic equation-of-motion coupled-cluster method within its four-component description is successfully implemented with the consideration of single- and double- excitation approximations using the Dirac-Coulomb Hamiltonian. At the first attempt, the implemented method is employed to calculate ionization potential value of heavy atomic (Ag, Cs, Au, Fr, and Lr) and molecular (HgH and PbF) systems, where the effect of relativity does really matter to obtain highly accurate results. Not only the relativistic effect but also the effect of electron correlation is crucial in these heavy atomic and molecular systems. To justify the fact, we have taken two further approximationsmore » in the four-component relativistic equation-of-motion framework to quantify how the effect of electron correlation plays a role in the calculated values at different levels of theory. All these calculated results are compared with the available experimental data as well as with other theoretically calculated values to judge the extent of accuracy obtained in our calculations.« less

Synchrotron-based valence shell photoionization of CH radical

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gans, B., E-mail: berenger.gans@u-psud.fr, E-mail: christian.alcaraz@u-psud.fr; Falvo, C.; Holzmeier, F.

2016-05-28

We report the first experimental observations of X{sup +} {sup 1}Σ{sup +}←X {sup 2}Π and a{sup +} {sup 3}Π←X {sup 2}Π single-photon ionization transitions of the CH radical performed on the DESIRS beamline at the SOLEIL synchrotron facility. The radical was produced by successive hydrogen-atom abstractions on methane by fluorine atoms in a continuous microwave discharge flow tube. Mass-selected ion yields and photoelectron spectra were recorded as a function of photon energy using a double imaging photoelectron/photoion coincidence spectrometer. The ion yield appears to be strongly affected by vibrational and electronic autoionizations, which allow the observation of high Rydberg statesmore » of the neutral species. The photoelectron spectra enable the first direct determinations of the adiabatic ionization potential and the energy of the first triplet state of the cation with respect to its singlet ground state. This work also brings valuable information on the complex electronic structure of the CH radical and its cation and adds new observations to complement our understanding of Rydberg states and autoionization processes.« less

The advanced thermionic converter with microwave power as an auxiliary ionization source

NASA Technical Reports Server (NTRS)

Manikopoulos, C. N.; Hatziprocopiou, M.; Chiu, H. S.; Shaw, D. T.

1978-01-01

In the search for auxiliary sources of ionization for the advanced thermionic converter plasma, as required for terrestial applications, the use of externally applied microwave power is considered. The present work is part of the advanced model thermionic converter development research currently performed at the laboratory for Power and Environmental Studies at SUNY Buffalo. Microwave power in the frequency range 1-3 GHz is used to externally pump a thermionic converter and the results are compared to the theoretical model proposed by Lam (1976) in describing the thermionic converter plasma. The electron temperature of the plasma is found to be raised considerably by effective microwave heating which results in the disappearance of the double sheath ordinarily erected in front of the emitter. The experimental data agree satisfactorily with theory in the low current region.

Track structure in radiation biology: theory and applications.

PubMed

Nikjoo, H; Uehara, S; Wilson, W E; Hoshi, M; Goodhead, D T

1998-04-01

A brief review is presented of the basic concepts in track structure and the relative merit of various theoretical approaches adopted in Monte-Carlo track-structure codes are examined. In the second part of the paper, a formal cluster analysis is introduced to calculate cluster-distance distributions. Total experimental ionization cross-sections were least-square fitted and compared with the calculation by various theoretical methods. Monte-Carlo track-structure code Kurbuc was used to examine and compare the spectrum of the secondary electrons generated by using functions given by Born-Bethe, Jain-Khare, Gryzinsky, Kim-Rudd, Mott and Vriens' theories. The cluster analysis in track structure was carried out using the k-means method and Hartigan algorithm. Data are presented on experimental and calculated total ionization cross-sections: inverse mean free path (IMFP) as a function of electron energy used in Monte-Carlo track-structure codes; the spectrum of secondary electrons generated by different functions for 500 eV primary electrons; cluster analysis for 4 MeV and 20 MeV alpha-particles in terms of the frequency of total cluster energy to the root-mean-square (rms) radius of the cluster and differential distance distributions for a pair of clusters; and finally relative frequency distribution for energy deposited in DNA, single-strand break and double-strand breaks for 10MeV/u protons, alpha-particles and carbon ions. There are a number of Monte-Carlo track-structure codes that have been developed independently and the bench-marking presented in this paper allows a better choice of the theoretical method adopted in a track-structure code to be made. A systematic bench-marking of cross-sections and spectra of the secondary electrons shows differences between the codes at atomic level, but such differences are not significant in biophysical modelling at the macromolecular level. Clustered-damage evaluation shows: that a substantial proportion of dose ( 30%) is deposited by low-energy electrons; the majority of DNA damage lesions are of simple type; the complexity of damage increases with increased LET, while the total yield of strand breaks remains constant; and at high LET values nearly 70% of all double-strand breaks are of complex type.

Plasma diagnostics of low pressure high power impulse magnetron sputtering assisted by electron cyclotron wave resonance plasma

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stranak, Vitezslav; University of South Bohemia, Institute of Physics and Biophysics, Branisovska 31, 370 05 Ceske Budejovice; Herrendorf, Ann-Pierra

2012-11-01

This paper reports on an investigation of the hybrid pulsed sputtering source based on the combination of electron cyclotron wave resonance (ECWR) inductively coupled plasma and high power impulse magnetron sputtering (HiPIMS) of a Ti target. The plasma source, operated in an Ar atmosphere at a very low pressure of 0.03 Pa, provides plasma where the major fraction of sputtered particles is ionized. It was found that ECWR assistance increases the electron temperature during the HiPIMS pulse. The discharge current and electron density can achieve their stable maximum 10 {mu}s after the onset of the HiPIMS pulse. Further, a highmore » concentration of double charged Ti{sup ++} with energies of up to 160 eV was detected. All of these facts were verified experimentally by time-resolved emission spectroscopy, retarding field analyzer measurement, Langmuir probe, and energy-resolved mass spectrometry.« less

Liquid xenon purification, de-radonation (and de-kryptonation)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pocar, Andrea, E-mail: pocar@umass.edu; Physics Division, Lawrence Livermore National Laboratory, Livermore, California 94550

Liquid xenon detectors are at the forefront of rare event physics, including searches for neutrino-less double beta decay and WIMP dark matter. The xenon for these experiments needs to be purified from chemical impurities such as electronegative atoms and molecules, which absorb ionization electrons, and VUV (178 nm) scintillation light-absorbing chemical species. In addition, superb purification from radioactive impurities is required. Particularly challenging are radioactive noble isotopes ({sup 85}Kr,{sup 39,42}Ar,{sup 220,222}Rn). Radon is a particularly universal problem, due to the extended decay sequence of its daughters and its ubiquitous presence in detector materials. Purification and de-radonation of liquid xenon aremore » addressed with particular focus on the experience gained with the EXO-200 neutrino-less double beta decay detector.« less

Electron impact ionization in the vicinity of comets

NASA Astrophysics Data System (ADS)

Cravens, T. E.; Kozyra, J. U.; Nagy, A. F.; Gombosi, T. I.; Kurtz, M.

1987-07-01

The solar wind interacts very strongly with the extensive cometary coma, and the various interaction processes are initiated by the ionization of cometary neutrals. The main ionization mechanism far outside the cometary bow shock is photoionization by solar extreme ultraviolet radiation.Electron distributions measured in the vicinity of comets Halley and Giacobini-Zinner by instruments on the VEGA and ICE spacecraft, respectively, are used to calculate electron impact ionization frequencies. Ionization by electrons is of comparable importance to photoionization in the magnetosheaths of Comets Halley and Giacobini-Zinner. The ionization frequency in the inner part of the cometary plasma region of comet Halley is several times greater than the photoionization value. Tables of ionization frequencies as functions of electron temperature are presented for H2O, CO2, CO, O, N2, and H.

Quantum control via a genetic algorithm of the field ionization pathway of a Rydberg electron

NASA Astrophysics Data System (ADS)

Gregoric, Vincent C.; Kang, Xinyue; Liu, Zhimin Cheryl; Rowley, Zoe A.; Carroll, Thomas J.; Noel, Michael W.

2017-08-01

Quantum control of the pathway along which a Rydberg electron field ionizes is experimentally and computationally demonstrated. Selective field ionization is typically done with a slowly rising electric field pulse. The (1/n*)4 scaling of the classical ionization threshold leads to a rough mapping between arrival time of the electron signal and principal quantum number of the Rydberg electron. This is complicated by the many avoided level crossings that the electron must traverse on the way to ionization, which in general leads to broadening of the time-resolved field ionization signal. In order to control the ionization pathway, thus directing the signal to the desired arrival time, a perturbing electric field produced by an arbitrary wave-form generator is added to a slowly rising electric field. A genetic algorithm evolves the perturbing field in an effort to achieve the target time-resolved field ionization signal.

Influence of renormalization shielding on the electron-impact ionization process in dense partially ionized plasmas

DOE Office of Scientific and Technical Information (OSTI.GOV)

Song, Mi-Young; Yoon, Jung-Sik; Jung, Young-Dae, E-mail: ydjung@hanyang.ac.kr

2015-04-15

The renormalization shielding effects on the electron-impact ionization of hydrogen atom are investigated in dense partially ionized plasmas. The effective projectile-target interaction Hamiltonian and the semiclassical trajectory method are employed to obtain the transition amplitude as well as the ionization probability as functions of the impact parameter, the collision energy, and the renormalization parameter. It is found that the renormalization shielding effect suppresses the transition amplitude for the electron-impact ionization process in dense partially ionized plasmas. It is also found that the renormalization effect suppresses the differential ionization cross section in the peak impact parameter region. In addition, it ismore » found that the influence of renormalization shielding on the ionization cross section decreases with an increase of the relative collision energy. The variations of the renormalization shielding effects on the electron-impact ionization cross section are also discussed.« less

Formation of nanograting in fused silica by temporally delayed femtosecond double-pulse irradiation

NASA Astrophysics Data System (ADS)

Wang, Haodong; Song, Juan; Li, Qin; Zeng, Xianglong; Dai, Ye

2018-04-01

A 1 kHz femtosecond double-pulse sequence irradiation is used to study the temporal evolution of nanograting in fused silica by controlling the delay times and polarization combinations of two independent beams from a Mach–Zehnder interferometer. A lateral laser-scan experiment with speed at 5 µm s‑1 and each pulse energy of 1 µJ is firstly performed with the delay time from sub-picosecond to 10 ps, and then the written nanostructures are systematically studied under a cross-polarized microscope because the intensity of birefringence signal nearly corresponds to optical retardance and development level of the induced nanograting. The trend shows that the induced nanogratings can continue developing with a decrease of delay time in the case of the linear polarization pulse arriving before. In another vertical laser-scan experiment at the same speed and pulse energy, the morphologies of nanogratings embedded in the lines are characterized by scanning electron microscope after mechanical polishing and chemical etching. The self-organized patterns have a commonly spatial period of 200–300 nm and the orientation is always perpendicular to the polarization of the first laser pulse, and the second pulse in each sequence seems to promote the as-formed nanograting developing further even if the polarized direction is different from the previous pulse. These new findings verify again that a localized memory effect can make positive feedback to reinforce the patterned nanostripes. In that process, the impact ionization from the seed electrons left by the first pulse excitation and the photoionization of self-trapped excitons with lower ionization threshold results in an increase of the re-excited carriers during the second pulse irradiation and the subsequent development of the as-formed nanograting. Our result provides further proofs for understanding the physical mechanism of nanograting strongly connection with the interplay on multiple ionization channels.

Collision problems treated with the Generalized Hyperspherical Sturmian method

NASA Astrophysics Data System (ADS)

Mitnik, D. M.; Gasaneo, G.; Ancarani, L. U.; Ambrosio, M. J.

2014-04-01

An hyperspherical Sturmian approach recently developed for three-body break-up processes is presented. To test several of its features, the method is applied to two simplified models. Excellent agreement is found when compared with the results of an analytically solvable problem. For the Temkin-Poet model of the double ionization of He by high energy electron impact, the present method is compared with the Spherical Sturmian approach, and again excellent agreement is found. Finally, a study of the channels appearing in the break-up three-body wave function is presented.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Obaid, Razib; Buth, Christian; Dakovski, Georgi L.

Here, we measured the fluorescence photon yield of neon upon soft x-ray ionization (~1200 eV) from the x-ray free-electron laser at Linac Coherent Light Source, and demonstrated the usage of a grazing incidence spectrometer with a variable line spacing grating to perform x-ray fluorescence spectroscopy on a gas phase system. Our measurements also allowed us to estimate the focal size of the beam from the theoretical description developed, in terms of the rate equation approximation accounting for photoionization shake off of neutral neon and double auger decay of single core holes.

Photo-Double Ionization: Threshold Law and Low-Energy Behavior

NASA Technical Reports Server (NTRS)

Bhatia, A. K.; Temkin, A.

2007-01-01

The threshold law for photoejection of two electrons from atoms (PDI) is derived from a modification of the Coulomb-dipole (C-D) theory. The C-D theory applies to two-electron ejection from negative ions (photo-double detachment:PDD). The modification consists of correctly accounting for the fact that in PDI that the two escaping electrons see a Coulomb field, asymptotically no matter what their relative distances from the residual ion are. We find in the contralinear spherically symmetric model that the analytic threshold law Q(E), i.e. the yield of residual ions, to be Q Integral of (E) varies as E + (C(sub w) E(sup gamma W)) +CE(sup 5/4) sin [1/2 ln E + phi]/ln(E). The first and third terms are beyond the Wannier law. Our threshold law can only be rigorously justified for residual energies <= 10(exp -3) eV. Nevertheless in the present experimental range (0.1 - 4 eV), the form, even without the second term, can be fitted to experimental results of PDI for He, Li, and Be, in contrast to the Wannier law which has a larger deviation from the data for Li and Be.

Target electron ionization in Li2+-Li collisions: A multi-electron perspective

NASA Astrophysics Data System (ADS)

Śpiewanowski, M. D.; Gulyás, L.; Horbatsch, M.; Kirchner, T.

2015-05-01

The recent development of the magneto-optical trap reaction-microscope has opened a new chapter for detailed investigations of charged-particle collisions from alkali atoms. It was shown that energy-differential cross sections for ionization from the outer-shell in O8+-Li collisions at 1500 keV/amu can be readily explained with the single-active-electron approximation. Understanding of K-shell ionization, however, requires incorporating many-electron effects. An ionization-excitation process was found to play an important role. We present a theoretical study of target electron removal in Li2+-Li collisions at 2290 keV/amu. The results indicate that in outer-shell ionization a single-electron process plays the dominant part. However, the K-shell ionization results are more difficult to interpret. On one hand, we find only weak contributions from multi-electron processes. On the other hand, a large discrepancy between experimental and single-particle theoretical results indicate that multi-electron processes involving ionization from the outer shell may be important for a complete understanding of the process. Work supported by NSERC, Canada and the Hungarian Scientific Research Fund.

Optical field ionization of atoms and ions using ultrashort laser pulses

NASA Astrophysics Data System (ADS)

Fittinghoff, D. N.

1993-12-01

This dissertation research is an investigation of the strong optical field ionization of atoms and ions by 120-fs, 614-run laser pulses and 130-fs, 800-nm laser pulses. The experiments have shown ionization that is enhanced above the predictions of sequential tunneling models for He(+2), Ne(+2), and Ar(+2). The ion yields for He(+1), Ne(sup +1) and Ar(sup +1) agree well with the theoretical predictions of optical tunneling models. Investigation of the polarization dependence of the ionization indicates that the enhancements are consistent with a nonsequential ionization mechanism in which the linearly polarized field drives the electron wavefunction back toward the ion core and causes double ionization through inelastic e-2e scattering. These investigations have initiated a number of other studies by other groups and are of current scientific interest in the fields of high-irradiance laser-matter interactions and production of high-density plasmas. This work involved the following: (1) Understanding the characteristic nature of the ion yields produced by tunneling ionization through investigation of analytic solutions for tunneling at optical frequencies. (2) Extensive characterization of the pulses produced by 614-nm and 800-ran ultrashort pulse lasers. Absolute calibration of the irradiance scale produced shows the practicality of the inverse problem--measuring peak laser irradiance using ion yields. (3) Measuring the ion yields for three noble gases using linear, circular and elliptical polarizations of laser pulses at 614-nm and 800-nm. The measurements are some of the first measurements for pulse widths as low as 120-fs.

Development of a highly-sensitive Penning ionization electron spectrometer using the magnetic bottle effect

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ota, Masahiro; Ishiguro, Yuki; Nakajima, Yutaro

2016-02-01

This paper reports on a highly-sensitive retarding-type electron spectrometer for a continuous source of electrons, in which the electron collection efficiency is increased by utilizing the magnetic bottle effect. This study demonstrates an application to Penning ionization electron spectroscopy using collisional ionization with metastable He*(2{sup 3}S) atoms. Technical details and performances of the instrument are presented. This spectrometer can be used for studies of functional molecules and assemblies, and exterior electron densities are expected to be selectively observed by the Penning ionization.

Treatment of Electronic Energy Level Transition and Ionization Following the Particle-Based Chemistry Model

NASA Technical Reports Server (NTRS)

Liechty, Derek S.; Lewis, Mark

2010-01-01

A new method of treating electronic energy level transitions as well as linking ionization to electronic energy levels is proposed following the particle-based chemistry model of Bird. Although the use of electronic energy levels and ionization reactions in DSMC are not new ideas, the current method of selecting what level to transition to, how to reproduce transition rates, and the linking of the electronic energy levels to ionization are, to the author s knowledge, novel concepts. The resulting equilibrium temperatures are shown to remain constant, and the electronic energy level distributions are shown to reproduce the Boltzmann distribution. The electronic energy level transition rates and ionization rates due to electron impacts are shown to reproduce theoretical and measured rates. The rates due to heavy particle impacts, while not as favorable as the electron impact rates, compare favorably to values from the literature. Thus, these new extensions to the particle-based chemistry model of Bird provide an accurate method for predicting electronic energy level transition and ionization rates in gases.

Spectroscopic Constants of the Known Electronic States of Lead Monofluoride

DOE Office of Scientific and Technical Information (OSTI.GOV)

McRaven, C.P.; Sivakumar, P.; Shafer-Ray, N.E.

2010-08-01

Based on measurements made by mass-resolved 1 + 1{prime} + 1{double_prime} resonance-enhanced multiphoton ionization spectroscopy, we have determined new molecular constants describing the rotational and fine structure levels of the B, D, E, and F states of the most abundant isotopic variant {sup 208}Pb{sup 19}F, and we summarize the spectroscopic constants for all the know electronic states of the radical. Many spectroscopic constants for the isotopologues {sup 206}Pb{sup 19}F and {sup 207}Pb{sup 19}F have also been determined. The symmetry of the D-state is found to be {sup 2}{pi}{sub 1/2}, and the F-state is found to be an {Omega} = 3/2more » state.« less

Electron impact ionization of the gas-phase sorbitol

NASA Astrophysics Data System (ADS)

Chernyshova, Irina; Markush, Pavlo; Zavilopulo, Anatoly; Shpenik, Otto

2015-03-01

Ionization and dissociative ionization of the sorbitol molecule by electron impact have been studied using two different experimental methods. In the mass range of m/ z = 10-190, the mass spectra of sorbitol were recorded at the ionizing electron energies of 70 and 30 eV. The ion yield curves for the fragment ions have been analyzed and the appearance energies of these ions have been determined. The relative total ionization cross section of the sorbitol molecule was measured using monoenergetic electron beam. Possible fragmentation pathways for the sorbitol molecule were proposed.

Analytical Energy Gradients for Excited-State Coupled-Cluster Methods

NASA Astrophysics Data System (ADS)

Wladyslawski, Mark; Nooijen, Marcel

The equation-of-motion coupled-cluster (EOM-CC) and similarity transformed equation-of-motion coupled-cluster (STEOM-CC) methods have been firmly established as accurate and routinely applicable extensions of single-reference coupled-cluster theory to describe electronically excited states. An overview of these methods is provided, with emphasis on the many-body similarity transform concept that is the key to a rationalization of their accuracy. The main topic of the paper is the derivation of analytical energy gradients for such non-variational electronic structure approaches, with an ultimate focus on obtaining their detailed algebraic working equations. A general theoretical framework using Lagrange's method of undetermined multipliers is presented, and the method is applied to formulate the EOM-CC and STEOM-CC gradients in abstract operator terms, following the previous work in [P.G. Szalay, Int. J. Quantum Chem. 55 (1995) 151] and [S.R. Gwaltney, R.J. Bartlett, M. Nooijen, J. Chem. Phys. 111 (1999) 58]. Moreover, the systematics of the Lagrange multiplier approach is suitable for automation by computer, enabling the derivation of the detailed derivative equations through a standardized and direct procedure. To this end, we have developed the SMART (Symbolic Manipulation and Regrouping of Tensors) package of automated symbolic algebra routines, written in the Mathematica programming language. The SMART toolkit provides the means to expand, differentiate, and simplify equations by manipulation of the detailed algebraic tensor expressions directly. The Lagrangian multiplier formulation establishes a uniform strategy to perform the automated derivation in a standardized manner: A Lagrange multiplier functional is constructed from the explicit algebraic equations that define the energy in the electronic method; the energy functional is then made fully variational with respect to all of its parameters, and the symbolic differentiations directly yield the explicit equations for the wavefunction amplitudes, the Lagrange multipliers, and the analytical gradient via the perturbation-independent generalized Hellmann-Feynman effective density matrix. This systematic automated derivation procedure is applied to obtain the detailed gradient equations for the excitation energy (EE-), double ionization potential (DIP-), and double electron affinity (DEA-) similarity transformed equation-of-motion coupled-cluster singles-and-doubles (STEOM-CCSD) methods. In addition, the derivatives of the closed-shell-reference excitation energy (EE-), ionization potential (IP-), and electron affinity (EA-) equation-of-motion coupled-cluster singles-and-doubles (EOM-CCSD) methods are derived. Furthermore, the perturbative EOM-PT and STEOM-PT gradients are obtained. The algebraic derivative expressions for these dozen methods are all derived here uniformly through the automated Lagrange multiplier process and are expressed compactly in a chain-rule/intermediate-density formulation, which facilitates a unified modular implementation of analytic energy gradients for CCSD/PT-based electronic methods. The working equations for these analytical gradients are presented in full detail, and their factorization and implementation into an efficient computer code are discussed.

Energy dependence of effective electron mass and laser-induced ionization of wide band-gap solids

NASA Astrophysics Data System (ADS)

Gruzdev, V. E.

2008-10-01

Most of the traditional theoretical models of laser-induced ionization were developed under the assumption of constant effective electron mass or weak dependence of the effective mass on electron energy. Those assumptions exclude from consideration all the effects resulting from significant increase of the effective mass with increasing of electron energy in real the conduction band. Promotion of electrons to the states with high effective mass can be done either via laserinduced electron oscillations or via electron-particle collisions. Increase of the effective mass during laser-material interactions can result in specific regimes of ionization. Performing a simple qualitative analysis by comparison of the constant-mass approximation vs realistic dependences of the effective mass on electron energy, we demonstrate that the traditional ionization models provide reliable estimation of the ionization rate in a very limited domain of laser intensity and wavelength. By taking into account increase of the effective mass with electron energy, we demonstrate that special regimes of high-intensity photo-ionization are possible depending on laser and material parameters. Qualitative analysis of the energy dependence of the effective mass also leads to conclusion that the avalanche ionization can be stopped by the effect of electron trapping in the states with large values of the effective mass.

Advanced PIC-MCC simulation for the investigation of step-ionization effect in intermediate-pressure capacitively coupled plasmas

NASA Astrophysics Data System (ADS)

Kim, Jin Seok; Hur, Min Young; Kim, Chang Ho; Kim, Ho Jun; Lee, Hae June

2018-03-01

A two-dimensional parallelized particle-in-cell simulation has been developed to simulate a capacitively coupled plasma reactor. The parallelization using graphics processing units is applied to resolve the heavy computational load. It is found that the step-ionization plays an important role in the intermediate gas pressure of a few Torr. Without the step-ionization, the average electron density decreases while the effective electron temperature increases with the increase of gas pressure at a fixed power. With the step-ionization, however, the average electron density increases while the effective electron temperature decreases with the increase of gas pressure. The cases with the step-ionization agree well with the tendency of experimental measurement. The electron energy distribution functions show that the population of electrons having intermediate energy from 4.2 to 12 eV is relaxed by the step-ionization. Also, it was observed that the power consumption by the electrons is increasing with the increase of gas pressure by the step-ionization process, while the power consumption by the ions decreases with the increase of gas pressure.

Contribution of the pre-ionized H2 and the ionized H2+ subsystems to the HHG Spectra of H2 in intense laser fields

NASA Astrophysics Data System (ADS)

Iravani, Hossein; Sabzyan, Hassan; Vafaee, Mohsen; Buzari, Behnaz

2018-04-01

Contributions of the pre-ionized H2 (PI-H2) and ionized {{{H}}}2+ subsystems of the two-electron H2 system to its high-order harmonic generation in eight-cycle sin2-like ultrafast intense laser pulses are calculated and analyzed based on the solution of the time-dependent Schrödinger equation for the one-dimensional two-electronic H2 system with fixed nuclei. The laser pulses have λ = 390 and 532 nm wavelengths and I = 1 × 1014, 5 × 1014, 1 × 1015 and 5 × 1015 W cm‑2 intensities. It is found that at the two lower intensities, the PI-H2 subsystem dominantly produces the HHG spectra. However, at the two higher intensities, both PI-H2 and ionized {{{H}}}2+ subsystems contribute comparably to the HHG spectra. In the {{{H}}}2+ subsystem, the symmetry of the populations of {{{H}}}2+(I) and {{{H}}}2+(II) regions (left and right regions of {{{H}}}2+ subsystem) is broken by increasing the laser intensity. Complex patterns and even harmonics also appear at these two higher intensities. For instance, at 1 × 1015 W cm‑2 intensity and λ = 532 nm wavelength, the even harmonics are appeared near cutoff region. Interestingly, at 5 × 1015 W cm‑2 intensity and λ = 390 nm wavelength, the even harmonics replaced by the odd harmonics with red shift. At λ = 390 and 532 nm wavelengths and I = 1 × 1015 intensity, the two-electron cutoffs corresponding to nonsequential double-recombination with maximum return kinetic energy of 4.70Up are detected. The HHG spectra of the whole H2 system obtained with and without nuclear dynamics treated classically are approximately similar. However, at 1 × 1015 W cm‑2 intensity and λ = 532 nm wavelength, if we take into account nuclear dynamics, the even harmonics which are appeared near cutoff region, replaced by the odd harmonics with blue shift.

Performance analysis of junction-less double Gate n-p-n impact ionization MOS transistor (JLDG n-IMOS)

NASA Astrophysics Data System (ADS)

Chauhan, Manvendra Singh; Chauhan, R. K.

2018-04-01

This paper demonstrates a Junction-less Double Gate n-p-n Impact ionization MOS transistor (JLDG n-IMOS) on a very light doped p-type silicon body. Device structure proposed in the paper is based on charge plasma concept. There is no metallurgical junctions in the proposed device and does not need any impurity doping to create the drain and source regions. Due to doping-less nature, the fabrication process is simple for JLDG n-IMOS. The double gate engineering in proposed device leads to reduction in avalanche breakdown via impact ionization, generating large number of carriers in drain-body junction, resulting high ION current, small IOFF current and great improvement in ION/IOFF ratio. The simulation and examination of the proposed device have been performed on ATLAS device simulatorsoftware.

Back bias induced dynamic and steep subthreshold swing in junctionless transistors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Parihar, Mukta Singh; Kranti, Abhinav, E-mail: akranti@iiti.ac.in

In this work, we analyze back bias induced steep and dynamic subthreshold swing in junctionless double gate transistors operated in the asymmetric mode. This impact ionization induced dynamic subthreshold swing is explained in terms of the ratio between minimum hole concentration and peak electron concentration, and the dynamic change in the location of the conduction channel with applied front gate voltage. The reason for the occurrence of impact ionization at sub-bandgap drain voltages in silicon junctionless transistors is also accounted for. The optimum junctionless transistor operating at a back gate bias of −0.9 V, achieves over 5 orders of change inmore » drain current at a gate overdrive of 200 mV and drain bias of 1 V. These results for junctionless transistors are significantly better than those exhibited by silicon tunnel field effect transistors operating at the same drain bias.« less

Charge-Transfer Processes in Warm Dense Matter: Selective Spectral Filtering for Laser-Accelerated Ion Beams

NASA Astrophysics Data System (ADS)

Braenzel, J.; Barriga-Carrasco, M. D.; Morales, R.; Schnürer, M.

2018-05-01

We investigate, both experimentally and theoretically, how the spectral distribution of laser accelerated carbon ions can be filtered by charge exchange processes in a double foil target setup. Carbon ions at multiple charge states with an initially wide kinetic energy spectrum, from 0.1 to 18 MeV, were detected with a remarkably narrow spectral bandwidth after they had passed through an ultrathin and partially ionized foil. With our theoretical calculations, we demonstrate that this process is a consequence of the evolution of the carbon ion charge states in the second foil. We calculated the resulting spectral distribution separately for each ion species by solving the rate equations for electron loss and capture processes within a collisional radiative model. We determine how the efficiency of charge transfer processes can be manipulated by controlling the ionization degree of the transfer matter.

Main principles of developing exploitation models of semiconductor devices

NASA Astrophysics Data System (ADS)

Gradoboev, A. V.; Simonova, A. V.

2018-05-01

The paper represents primary tasks, solutions of which allow to develop the exploitation modes of semiconductor devices taking into account complex and combined influence of ionizing irradiation and operation factors. The structure of the exploitation model of the semiconductor device is presented, which is based on radiation and reliability models. Furthermore, it was shown that the exploitation model should take into account complex and combine influence of various ionizing irradiation types and operation factors. The algorithm of developing the exploitation model of the semiconductor devices is proposed. The possibility of creating the radiation model of Schottky barrier diode, Schottky field-effect transistor and Gunn diode is shown based on the available experimental data. The basic exploitation model of IR-LEDs based upon double AlGaAs heterostructures is represented. The practical application of the exploitation models will allow to output the electronic products with guaranteed operational properties.

Decomposition of 2,4-dichlorophenoxyacetic acid by ozonation, ionizing radiation as well as ozonation combined with ionizing radiation

NASA Astrophysics Data System (ADS)

Drzewicz, Przemyslaw; Trojanowicz, Marek; Zona, Robert; Solar, Sonja; Gehringer, Peter

2004-03-01

Electron beam (EB), ozone (O 3) and the combination EB/O 3 were used to study the oxidative decomposition of 2,4-dichlorophenoxyacetic acid (2,4-D) in local tap water. Using an EB treatment, a dose of 10 kGy was required for complete 2,4-D degradation, and a 90% conversion of organic chlorine into chloride ions. Using additionally 1.33 mmol dm -3 O 3 during irradiation, the same result was achieved with a dose of 2.7 kGy. The yields of products acetate and formate were almost doubled by the combined EB/O 3 treatment, compared to those obtained with the same dose by EB irradiation. Gamma radiolysis showed that the degradation dose was proportional to the initial concentration of 2,4-D in the range of 50-2260 μmol dm -3.

Influence of field ionization effect on the divergence of laser-driven fast electrons

NASA Astrophysics Data System (ADS)

Lang, Y.; Yang, X. H.; Xu, H.; Jin, Z.; Zhuo, H. B.

2018-07-01

The effect of field ionization on the divergence of fast electrons (E k ≥ 50 keV), driven by ultrashort-ultraintense laser pulse interaction with plasma, is studied by using 2D3V particle-in-cell simulations. It is found that, due to temperature anisotropy of the fast electrons in the ionizing target, strong fluctuant magnetic fields in the preplasma region is generated through Weibel instability. In turn, the field induces an enhancement of the hot electron divergence for the target with ionization process. Meanwhile, compared with the target without an ionization process, larger divergence of hot electrons can also be seen in the ionizing target with laser intensity varying from 5 × 1019 W/cm2 to 5 × 1020 W/cm2 and the divergence is weakly dependent on target materials for a fixed profile of preplasma. The results here are useful for the application of laser-driven fast electron beams.

Few-cycle attosecond pulse chirp effects on asymmetries in ionized electron momentum distributions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Peng Liangyou; Tan Fang; Gong Qihuang

2009-07-15

The momentum distributions of electrons ionized from H atoms by chirped few-cycle attosecond pulses are investigated by numerically solving the time-dependent Schroedinger equation. The central carrier frequency of the pulse is chosen to be 25 eV, which is well above the ionization threshold. The asymmetry (or difference) in the yield of electrons ionized along and opposite to the direction of linear laser polarization is found to be very sensitive to the pulse chirp (for pulses with fixed carrier-envelope phase), both for a fixed electron energy and for the energy-integrated yield. In particular, the larger the pulse chirp, the larger themore » number of times the asymmetry changes sign as a function of ionized electron energy. For a fixed chirp, the ionized electron asymmetry is found to be sensitive also to the carrier-envelope phase of the few-cycle pulse.« less

21 CFR 1000.15 - Examples of electronic products subject to the Radiation Control for Health and Safety Act of 1968.

Code of Federal Regulations, 2012 CFR

2012-04-01

.... (a) Examples of electronic products which may emit x-rays and other ionizing electromagnetic radiation, electrons, neutrons, and other particulate radiation include: Ionizing electromagnetic radiation... radiation and ionizing electromagnetic radiation: Electron microscopes. Neutron generators. (b) Examples of...

21 CFR 1000.15 - Examples of electronic products subject to the Radiation Control for Health and Safety Act of 1968.

Code of Federal Regulations, 2010 CFR

2010-04-01

.... (a) Examples of electronic products which may emit x-rays and other ionizing electromagnetic radiation, electrons, neutrons, and other particulate radiation include: Ionizing electromagnetic radiation... radiation and ionizing electromagnetic radiation: Electron microscopes. Neutron generators. (b) Examples of...

21 CFR 1000.15 - Examples of electronic products subject to the Radiation Control for Health and Safety Act of 1968.

Code of Federal Regulations, 2011 CFR

2011-04-01

.... (a) Examples of electronic products which may emit x-rays and other ionizing electromagnetic radiation, electrons, neutrons, and other particulate radiation include: Ionizing electromagnetic radiation... radiation and ionizing electromagnetic radiation: Electron microscopes. Neutron generators. (b) Examples of...

21 CFR 1000.15 - Examples of electronic products subject to the Radiation Control for Health and Safety Act of 1968.

Code of Federal Regulations, 2014 CFR

2014-04-01

.... (a) Examples of electronic products which may emit x-rays and other ionizing electromagnetic radiation, electrons, neutrons, and other particulate radiation include: Ionizing electromagnetic radiation... radiation and ionizing electromagnetic radiation: Electron microscopes. Neutron generators. (b) Examples of...

21 CFR 1000.15 - Examples of electronic products subject to the Radiation Control for Health and Safety Act of 1968.

Code of Federal Regulations, 2013 CFR

2013-04-01

.... (a) Examples of electronic products which may emit x-rays and other ionizing electromagnetic radiation, electrons, neutrons, and other particulate radiation include: Ionizing electromagnetic radiation... radiation and ionizing electromagnetic radiation: Electron microscopes. Neutron generators. (b) Examples of...

Enhanced Ionization of Embedded Clusters by Electron-Transfer-Mediated Decay in Helium Nanodroplets.

PubMed

LaForge, A C; Stumpf, V; Gokhberg, K; von Vangerow, J; Stienkemeier, F; Kryzhevoi, N V; O'Keeffe, P; Ciavardini, A; Krishnan, S R; Coreno, M; Prince, K C; Richter, R; Moshammer, R; Pfeifer, T; Cederbaum, L S; Mudrich, M

2016-05-20

We report the observation of electron-transfer-mediated decay (ETMD) involving magnesium (Mg) clusters embedded in helium (He) nanodroplets. ETMD is initiated by the ionization of He followed by removal of two electrons from the Mg clusters of which one is transferred to the He ion while the other electron is emitted into the continuum. The process is shown to be the dominant ionization mechanism for embedded clusters for photon energies above the ionization potential of He. For Mg clusters larger than five atoms we observe stable doubly ionized clusters. Thus, ETMD provides an efficient pathway to the formation of doubly ionized cold species in doped nanodroplets.

Three holes bound to a double acceptor - Be(+) in germanium

NASA Technical Reports Server (NTRS)

Haller, E. E.; Mcmurray, R. E., Jr.; Falicov, L. M.; Haegel, N. M.; Hansen, W. L.

1983-01-01

A double acceptor binding three holes has been observed for the first time with photoconductive far-infrared spectroscopy in beryllium-doped germanium single crystals. This new center, Be(+), has a hole binding energy of about 5 meV and is only present when free holes are generated by ionization of either neutral shallow acceptors or neutral Be double acceptors. The Be(+) center thermally ionizes above 4 K. It disappears at a uniaxial stress higher than about a billion dyn/sq cm parallel to (111) as a result of the lifting of the valence-band degeneracy.

First proof of topological signature in the high pressure xenon gas TPC with electroluminescence amplification for the NEXT experiment

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ferrario, P.

2016-01-19

The NEXT experiment aims to observe the neutrinoless double beta decay of xenon in a high-pressure 136Xe gas TPC using electroluminescence (EL) to amplify the signal from ionization. One of the main advantages of this technology is the possibility to reconstruct the topology of events with energies close to Q ββ. This paper presents the first demonstration that the topology provides extra handles to reject background events using data obtained with the NEXT-DEMO prototype. Single electrons resulting from the interactions of 22Na 1275 keV gammas and electron-positron pairs produced by conversions of gammas from the 228Th decay chain were usedmore » to represent the background and the signal in a double beta decay. Furthermore, these data were used to develop algorithms for the reconstruction of tracks and the identification of the energy deposited at the end-points, providing an extra background rejection factor of 24.3 ± 1.4 (stat.)%, while maintaining an efficiency of 66.7 ± 1% for signal events.« less

Ground-based plasma contractor characterization

NASA Technical Reports Server (NTRS)

Patterson, Michael J.; Aadland, Randall S.

1987-01-01

Presented are recent NASA Lewis Research Center (LeRC) plasma contractor experimental results, as well as a description of the plasma contractor test facility. The operation of a 24 cm diameter plasma source with hollow cathode was investigated in the lighted-mode regime of electron current collection from 0.1 to 7.0 A. These results are compared to those obtained with a 12 cm plasma source. Full two-dimensional plasma potential profiles were constructed from emissive probe traces of the contractor plume. The experimentally measured dimensions of the plume sheaths were then compared to those theoretically predicted using a model of a spherical double sheath. Results are consistent for currents up to approximately 1.0 A. For currents above 1.0 A, substantial deviations from theory occur. These deviations are due to sheath asphericity, and possibly volume ionization in the double-sheath region.

Decomposition reaction of the veterinary antibiotic ciprofloxacin using electron ionizing energy.

PubMed

Cho, Jae Young; Chung, Byung Yeoup; Lee, Kyeong-Bo; Lee, Geon-Hwi; Hwang, Seon Ah

2014-12-01

The application of electron ionizing energy for degrading veterinary antibiotic ciprofloxacin (CFX) in aqueous solution was elucidated. The degradation efficiency of CFX after irradiation with electron ionizing energy was 38% at 1 kGy, 80% at 5kGy, and 97% at 10 kGy. Total organic carbon of CFX in aqueous solution after irradiation with electron ionizing energy decreased 2% at 1 kGy, 18% at 5 kGy, and 53% at 10 kGy. The CFX degradation products after irradiation with electron ionizing energy were CFX1 ([M+H] m/z 330), CFX2 ([M+H] m/z 314), and CFX3 ([M+H] m/z 263). CFX1 had an F atom substituted with OH and CFX2 was expected to originate from CFX via loss of F or H2O. CFX3 was expected to originate from CFX via loss of the piperazynilic ring. Among the several radicals, hydrate electron (eaq(-)) is expected to play an important role in degradation of veterinary antibiotic during irradiation with electron ionizing energy. The toxicity of the degraded products formed during irradiation with electron ionizing energy was evaluated using microbes such as Escherichia coli, Pseudomonas putida, and Bacillus subtilis, and the results revealed that the toxicity decreased with irradiation. These results demonstrate that irradiation technology using electron ionizing energy is an effective was to remove veterinary antibiotics from an aquatic ecosystem. Copyright © 2014 Elsevier Ltd. All rights reserved.

Electron Resonance Decay into a Biological Function: Decrease in Viability of E. coli Transformed by Plasmid DNA Irradiated with 0.5-18 eV Electrons.

PubMed

Kouass Sahbani, S; Cloutier, P; Bass, A D; Hunting, D J; Sanche, L

2015-10-01

Transient negative ions (TNIs) are ubiquitous in electron-molecule scattering at low electron impact energies (0-20 eV) and are particularly effective in damaging large biomolecules. Because ionizing radiation generates mostly 0-20 eV electrons, TNIs are expected to play important roles in cell mutagenesis and death during radiotherapeutic cancer treatment, although this hypothesis has never been directly verified. Here, we measure the efficiency of transforming E. coli bacteria by inserting into the cells, pGEM-3ZfL(-) plasmid DNA that confers resistance to the antibiotic ampicillin. Before transformation, plasmids are irradiated with electrons of specific energies between 0.5 and 18 eV. The loss of transformation efficiency plotted as a function of irradiation energy reveals TNIs at 5.5 and 9.5 eV, corresponding to similar states observed in the yields of DNA double strand breaks. We show that TNIs are detectable in the electron-energy dependence of a biological process and can decrease cell viability.

Laser ablation of ceramic Al2O3 at 193 nm and 248 nm: The importance of single-photon ionization processes

NASA Astrophysics Data System (ADS)

Peláez, R. J.; Afonso, C. N.; Bator, M.; Lippert, T.

2013-06-01

The aim of this work is to demonstrate that single-photon photoionization processes make a significant difference in the expansion and temperature of the plasma produced by laser ablation of ceramic Al2O3 in vacuum as well as to show their consequences in the kinetic energy distribution of the species that eventually will impact on the film properties produced by pulsed laser deposition. This work compares results obtained by mass spectrometry and optical spectroscopy on the composition and features of the plasma produced by laser ablation at 193 nm and 248 nm, i.e., photon energies that are, respectively, above and below the ionization potential of Al, and for fluences between threshold for visible plasma and up to ≈2 times higher. The results show that the ionic composition and excitation of the plasma as well as the ion kinetic energies are much higher at 193 nm than at 248 nm and, in the latter case, the population of excited ions is even negligible. The comparison of Maxwell-Boltzmann temperature, electron temperatures, and densities of the plasmas produced with the two laser wavelengths suggests that the expansion of the plasma produced at 248 nm is dominated by a single population. Instead, the one produced at 193 nm is consistent with the existence of two populations of cold and hot species, the latter associated to Al+ ions that travel at the forefront and produced by single photon ionization as well as Al neutrals and double ionized ions produced by electron-ion impact. The results also show that the most energetic Al neutrals in the plasma produced at the two studied wavelengths are in the ground state.

A Double-Blind Placebo-Controlled Crossover Trial of Intravenous Magnesium Sulfate for Foscarnet-Induced Ionized Hypocalcemia and Hypomagnesemia in Patients with AIDS and Cytomegalovirus Infection

PubMed Central

Huycke, Mark M.; Naguib, M. Tarek; Stroemmel, Mathias M.; Blick, Kenneth; Monti, Katherine; Martin-Munley, Sarah; Kaufman, Chris

2000-01-01

Foscarnet (trisodium phosphonoformate hexahydrate) is an antiviral agent used to treat cytomegalovirus disease in immunocompromised patients. One common side effect is acute ionized hypocalcemia and hypomagnesemia following intravenous administration. Foscarnet-induced ionized hypomagnesemia might contribute to ionized hypocalcemia by impairing excretion of preformed parathyroid hormone (PTH) or by producing target organ resistance. Prevention of ionized hypomagnesemia following foscarnet administration could blunt the development of ionized hypocalcemia. To determine whether intravenous magnesium ameliorates the decline in ionized calcium and/or magnesium following foscarnet infusions, MgSO4 at doses of 1, 2, and 3 g was administered in a double-blind, placebo-controlled, randomized, crossover trial to 12 patients with AIDS and cytomegalovirus disease. Overall, increasing doses of MgSO4 reduced or eliminated foscarnet-induced acute ionized hypomagnesemia. Supplementation, however, had no discernible effect on foscarnet-induced ionized hypocalcemia despite significant increases in serum PTH levels. No dose-related, clinically significant adverse events were found, suggesting that intravenous supplementation with up to 3 g of MgSO4 was safe in this chronically ill population. Since parenteral MgSO4 did not alter foscarnet-induced ionized hypocalcemia or symptoms associated with foscarnet, routine intravenous supplementation for patients with normal serum magnesium levels is not recommended during treatment with foscarnet. PMID:10898688

Resonant- and avalanche-ionization amplification of laser-induced plasma in air

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu, Yue; Zhang, Zhili, E-mail: zzhang24@utk.edu; Jiang, Naibo

2014-10-14

Amplification of laser-induced plasma in air is demonstrated utilizing resonant laser ionization and avalanche ionization. Molecular oxygen in air is ionized by a low-energy laser pulse employing (2 + 1) resonance-enhanced multi-photon ionization (REMPI) to generate seed electrons. Subsequent avalanche ionization of molecular oxygen and nitrogen significantly amplifies the laser-induced plasma. In this plasma-amplification effect, three-body attachments to molecular oxygen dominate the electron-generation and -loss processes, while either nitrogen or argon acts as the third body with low electron affinity. Contour maps of the electron density within the plasma obtained in O₂/N₂ and O₂/Ar gas mixtures are provided to showmore » relative degrees of plasma amplification with respect to gas pressure and to verify that the seed electrons generated by O₂ 2 + 1 REMPI are selectively amplified by avalanche ionization of molecular nitrogen in a relatively low-pressure condition (≤100 Torr). Such plasma amplification occurring in air could be useful in aerospace applications at high altitude.« less

Ion Densities in the Nightside Ionosphere of Mars: Effects of Electron Impact Ionization

NASA Astrophysics Data System (ADS)

Girazian, Z.; Mahaffy, P.; Lillis, R. J.; Benna, M.; Elrod, M.; Fowler, C. M.; Mitchell, D. L.

2017-11-01

We use observations from the Mars Atmosphere and Volatile EvolutioN (MAVEN) mission to show how superthermal electron fluxes and crustal magnetic fields affect ion densities in the nightside ionosphere of Mars. We find that due to electron impact ionization, high electron fluxes significantly increase the CO2+, O+, and O2+ densities below 200 km but only modestly increase the NO+ density. High electron fluxes also produce distinct peaks in the CO2+, O+, and O2+ altitude profiles. We also find that superthermal electron fluxes are smaller near strong crustal magnetic fields. Consequently, nightside ion densities are also smaller near strong crustal fields because they decay without being replenished by electron impact ionization. Furthermore, the NO+/O2+ ratio is enhanced near strong crustal fields because, in the absence of electron impact ionization, O2+ is converted into NO+ and not replenished. Our results show that electron impact ionization is a significant source of CO2+, O+, and O2+ in the nightside ionosphere of Mars.

Simultaneous resonant enhanced multiphoton ionization and electron avalanche ionization in gas mixtures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shneider, Mikhail N.; Zhang Zhili; Miles, Richard B.

2008-07-15

Resonant enhanced multiphoton ionization (REMPI) and electron avalanche ionization (EAI) are measured simultaneously in Ar:Xe mixtures at different partial pressures of mixture components. A simple theory for combined REMPI+EAI in gas mixture is developed. It is shown that the REMPI electrons seed the avalanche process, and thus the avalanche process amplifies the REMPI signal. Possible applications are discussed.

LCLS in—photon out: fluorescence measurement of neon using soft x-rays

DOE PAGES

Obaid, Razib; Buth, Christian; Dakovski, Georgi L.; ...

2018-01-09

Here, we measured the fluorescence photon yield of neon upon soft x-ray ionization (~1200 eV) from the x-ray free-electron laser at Linac Coherent Light Source, and demonstrated the usage of a grazing incidence spectrometer with a variable line spacing grating to perform x-ray fluorescence spectroscopy on a gas phase system. Our measurements also allowed us to estimate the focal size of the beam from the theoretical description developed, in terms of the rate equation approximation accounting for photoionization shake off of neutral neon and double auger decay of single core holes.

LCLS in—photon out: fluorescence measurement of neon using soft x-rays

NASA Astrophysics Data System (ADS)

Obaid, Razib; Buth, Christian; Dakovski, Georgi L.; Beerwerth, Randolf; Holmes, Michael; Aldrich, Jeff; Lin, Ming-Fu; Minitti, Michael; Osipov, Timur; Schlotter, William; Cederbaum, Lorenz S.; Fritzsche, Stephan; Berrah, Nora

2018-02-01

We measured the fluorescence photon yield of neon upon soft x-ray ionization (∼1200 eV) from the x-ray free-electron laser at Linac Coherent Light Source, and demonstrated the usage of a grazing incidence spectrometer with a variable line spacing grating to perform x-ray fluorescence spectroscopy on a gas phase system. Our measurements also allowed us to estimate the focal size of the beam from the theoretical description developed, in terms of the rate equation approximation accounting for photoionization shake off of neutral neon and double auger decay of single core holes.

Observation of increased space-charge limited thermionic electron emission current by neutral gas ionization in a weakly-ionized deuterium plasma

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hollmann, E. M.; Yu, J. H.; Doerner, R. P.

2015-09-14

The thermionic electron emission current emitted from a laser-produced hot spot on a tungsten target in weakly-ionized deuterium plasma is measured. It is found to be one to two orders of magnitude larger than expected for bipolar space charge limited thermionic emission current assuming an unperturbed background plasma. This difference is attributed to the plasma being modified by ionization of background neutrals by the emitted electrons. This result indicates that the allowable level of emitted thermionic electron current can be significantly enhanced in weakly-ionized plasmas due to the presence of large neutral densities.

Correlated electron and nuclear dynamics in strong field photoionization of H(2)(+).

PubMed

Silva, R E F; Catoire, F; Rivière, P; Bachau, H; Martín, F

2013-03-15

We present a theoretical study of H(2)(+) ionization under strong IR femtosecond pulses by using a method designed to extract correlated (2D) photoelectron and proton kinetic energy spectra. The results show two distinct ionization mechanisms-tunnel and multiphoton ionization-in which electrons and nuclei do not share the energy from the field in the same way. Electrons produced in multiphoton ionization share part of their energy with the nuclei, an effect that shows up in the 2D spectra in the form of energy-conservation fringes similar to those observed in weak-field ionization of diatomic molecules. In contrast, tunneling electrons lead to fringes whose position does not depend on the proton kinetic energy. At high intensity, the two processes coexist and the 2D plots show a very rich behavior, suggesting that the correlation between electron and nuclear dynamics in strong field ionization is more complex than one would have anticipated.

Single and multiple ionization of C60 fullerenes and collective effects in collisions with highly charged C, F, and Si ions with energy 3 MeV/u

NASA Astrophysics Data System (ADS)

Kelkar, A. H.; Kadhane, U.; Misra, D.; Gulyas, L.; Tribedi, L. C.

2010-10-01

We have measured absolute cross sections for single, double, triple, and quadruple ionization of C60 in collisions with 3 MeV/u C, F, and Si projectile ions at various projectile charge states. The experiment was performed using the recoil-ion time-of-flight technique. Projectile charge state dependence of the ionization yields was compared mainly with a model based on the giant dipole plasmon resonance (GDPR). In some cases, the continuum-distorted-wave-eikonal-initial-state (CDW-EIS) model which is normally applied for ion-atom collisions was also used as a reference. An excellent qualitative agreement between the experimental data for single and double ionization and the GDPR model predictions was found for all projectile charge states.

Double ionization of helium by ion impact: second Born order treatment at the fully differential level

NASA Astrophysics Data System (ADS)

López, S. D.; Otranto, S.; Garibotti, C. R.

2015-01-01

In this work, a theoretical study of the double ionization of He by ion impact at the fully differential level is presented. Emphasis is made in the role played by the projectile in the double emission process depending on its charge and the amount of momentum transferred to the target. A Born-CDW model including a second-order term in the projectile charge is introduced and evaluated within an on-shell treatment. We find that emission geometries for which the second-order term dominates lead to asymmetric structures around the momentum transfer direction, a typical characteristic of higher order transitions.

Photo-Double Ionization: Threshold Law and Low-Energy Behavior

NASA Technical Reports Server (NTRS)

Bhatia, Anand

2008-01-01

The threshold law for photoejection of two electrons from atoms (PDI) is derived from a modification of the Coulomb-dipole (C-D) theory. The C-D theory applies to two-electron ejection from negative ions (photo-double detachment:PDD). The modification consists of correctly accounting for the fact that in PDI that the two escaping electrons see a Coulomb field, asymptotically no matter what their relative distances from the residual ion are. We find in the contralinear spherically symmetric model that the analytic threshold law Q(E),i. e. the yield of residual ions, to be Qf(E)approaches E + CwE(sup gamma(w)) + CE(sup 5/4)sin[1/2 ln(E + theta)]/ln(E). The first and third terms are beyond the Wannier law. Our threshold law can only be rigorously justified for residual energies less than or equal to 10(exp -3) eV. Nevertheless in the present experimental range (0.1 - 4 eV), the form, even without the second term, can be fitted to experimental results of PDI for He, Li, and Be, in contrast to the Wannier law which has a larger deviation from the data for Li and Be, for both of which the data show signs of modulation.

Electron- and positron-impact atomic scattering calculations using propagating exterior complex scaling

NASA Astrophysics Data System (ADS)

Bartlett, P. L.; Stelbovics, A. T.; Rescigno, T. N.; McCurdy, C. W.

2007-11-01

Calculations are reported for four-body electron-helium collisions and positron-hydrogen collisions, in the S-wave model, using the time-independent propagating exterior complex scaling (PECS) method. The PECS S-wave calculations for three-body processes in electron-helium collisions compare favourably with previous convergent close-coupling (CCC) and time-dependent exterior complex scaling (ECS) calculations, and exhibit smooth cross section profiles. The PECS four-body double-excitation cross sections are significantly different from CCC calculations and highlight the need for an accurate representation of the resonant helium final-state wave functions when undertaking these calculations. Results are also presented for positron-hydrogen collisions in an S-wave model using an electron-positron potential of V12 = - (8 + (r1 - r2)2)-1/2. This model is representative of the full problem, and the results demonstrate that ECS-based methods can accurately calculate scattering, ionization and positronium formation cross sections in this three-body rearrangement collision.

Electron and Ion Reactions in Molecular Solids: from astrochemistry to radiobiology

NASA Astrophysics Data System (ADS)

Huels, Michael A.

2001-05-01

Wherever ionizing radiation interacts with matter, it initiates reaction cascades involving ions, radicals, and ballistic secondary electrons; these reactions occur on fs time-scales, and may lead to substantial physical and chemical modifications of a medium. Here I present measurements of 0-80 eV electron and ion reactions in condensed films ranging from simple to complex, and astrophysical to biological in nature. Targets contain either: small molecules, hydrocarbons of increasing complexity (incl. bases, sugars, single/double stranded DNA), molecules on rare gas matrices, or mixed cryogenic films resembling astrophysical or planetary surface ices containing O2, H2O, methane, and aromatic hydrocarbons. The basic electron or ion reaction mechanisms and pathways are found to be fundamentally universal, but are modulated by the physical and chemical nature of the medium; depending on the latter, a reaction cascade may lead to different end-points, e.g. a decrease in molecular complexity via molecular fragmentations, or increases in complexity via secondary ion collision induced synthesis of larger molecules in hydrocarbon rich surface ices.

Ionization of NO at high temperature

NASA Technical Reports Server (NTRS)

Hansen, C. Frederick

1991-01-01

Space vehicles flying through the atmosphere at high speed are known to excite a complex set of chemical reactions in the atmospheric gases, ranging from simple vibrational excitation to dissociation, atom exchange, electronic excitation, ionization, and charge exchange. Simple arguments are developed for the temperature dependence of the reactions leading to ionization of NO, including the effect of vibrational electronic thermal nonequilibrium. NO ionization is the most important source of electrons at intermediate temperatures and at higher temperatures provides the trigger electrons that ionize atoms. Based on these arguments, recommendations are made for formulae which fit observed experimental results, and which include a dependence on both a heavy particle temperature and different vibration electron temperatures. In addition, these expressions will presumably provide the most reliable extrapolation of experimental results to much higher temperatures.

Probing electron delays in above-threshold ionization

DOE PAGES

Zipp, Lucas J.; Natan, Adi; Bucksbaum, Philip H.

2014-11-21

Recent experiments have revealed attosecond delays in the emission of electrons from atoms ionized by extreme UV light, offering a glimpse into the ultrafast nature of light-induced electron dynamics. In this work, we extend these measurements to the strong-field above-threshold ionization (ATI) regime, by measuring delays in the photoemission of electrons from argon in the presence of an intense laser field. We probe the ATI process with a weak coherent reference, at half the laser frequency. The interfering ionization signal reveals the relative spectral phase of adjacent ATI channels, with an equivalent resolution of a few attoseconds. These relative delaysmore » depend on the strong field, and approach zero at higher intensity. Our phase measurements of ATI electrons show how strong fields alter ionization dynamics in atoms.« less

Electron gyroharmonic effects in ionization and electron acceleration during high-frequency pumping in the ionosphere.

PubMed

Gustavsson, B; Leyser, T B; Kosch, M; Rietveld, M T; Steen, A; Brändström, B U E; Aso, T

2006-11-10

Optical emissions and incoherent scatter radar data obtained during high-frequency electromagnetic pumping of the ionospheric plasma from the ground give data on electron energization in an energy range from 2 to 100 eV. Optical emissions at 4278 A from N2+ that require electrons with energies above the 18 eV ionization energy give the first images ever of pump-induced ionization of the thermosphere. The intensity at 4278 A is asymmetric around the ionospheric electron gyroharmonic, being stronger above the gyroresonance. This contrasts with emissions at 6300 A from O(1D) and of electron temperature enhancements, which have minima at the gyroharmonic but have no apparent asymmetry. This direct evidence of pump-induced ionization contradicts previous indirect evidence, which indicated that ionization is most efficiently produced when the pump frequency was below the gyroharmonic.

Modeling of laser-induced ionization of solid dielectrics for ablation simulations: role of effective mass

NASA Astrophysics Data System (ADS)

Gruzdev, Vitaly

2010-11-01

Modeling of laser-induced ionization and heating of conduction-band electrons by laser radiation frequently serves as a basis for simulations supporting experimental studies of laser-induced ablation and damage of solid dielectrics. Together with band gap and electron-particle collision rate, effective electron mass is one of material parameters employed for the ionization modeling. Exact value of the effective mass is not known for many materials frequently utilized in experiments, e.g., fused silica and glasses. Because of that reason, value of the effective mass is arbitrary varied around "reasonable values" for the ionization modeling. In fact, it is utilized as a fitting parameter to fit experimental data on dependence of ablation or damage threshold on laser parameters. In this connection, we study how strong is the influence of variations of the effective mass on the value of conduction-band electron density. We consider influence of the effective mass on the photo-ionization rate and rate of impact ionization. In particular, it is shown that the photo-ionization rate can vary by 2-4 orders of magnitude with variation of effective mass by 50%. Impact ionization shows a much weaker dependence on effective mass, but it significantly enhances the variations of seed-electron density produced by the photo-ionization. Utilizing those results, we demonstrate that variation of effective mass by 50% produces variations of conduction-band electron density by 6 orders of magnitude. In this connection, we discuss the general issues of the current models of laser-induced ionization.

Double photoionization of propylene oxide: A coincidence study of the ejection of a pair of valence-shell electrons

NASA Astrophysics Data System (ADS)

Falcinelli, Stefano; Vecchiocattivi, Franco; Alagia, Michele; Schio, Luca; Richter, Robert; Stranges, Stefano; Catone, Daniele; Arruda, Manuela S.; Mendes, Luiz A. V.; Palazzetti, Federico; Aquilanti, Vincenzo; Pirani, Fernando

2018-03-01

Propylene oxide, a favorite target of experimental and theoretical studies of circular dichroism, was recently discovered in interstellar space, further amplifying the attention to its role in the current debate on protobiological homochirality. In the present work, a photoelectron-photoion-photoion coincidence technique, using an ion-imaging detector and tunable synchrotron radiation in the 18.0-37.0 eV energy range, permits us (i) to observe six double ionization fragmentation channels, their relative yields being accounted for about two-thirds by the couple (C2H4+, CH2O+) and one-fifth by (C2H3+, CH3O+); (ii) to measure thresholds for their openings as a function of photon energy; and (iii) to unravel a pronounced bimodality for a kinetic-energy-released distribution, fingerprint of competitive non-adiabatic mechanisms.

Indirect double photoionization of water

NASA Astrophysics Data System (ADS)

Resccigno, T. N.; Sann, H.; Orel, A. E.; Dörner, R.

2011-05-01

The vertical double ionization thresholds of small molecules generally lie above the dissociation limits corresponding to formation of two singly charged fragments. This gives the possibility of populating singly charged molecular ions by photoionization in the Franck-Condon region at energies below the lowest dication state, but above the dissociation limit into two singly charged fragment ions. This process can produce a superexcited neutral fragment that autoionizes at large internuclear separation. We study this process in water, where absorption of a photon produces an inner-shell excited state of H2O+ that fragments to H++OH*. The angular distribution of secondary electrons produced by OH* when it autoionizes produces a characteristic asymmetric pattern that reveals the distance, and therefore the time, at which the decay takes place. LBNL, Berkeley, CA, J. W. Goethe Universität, Frankfurt, Germany. Work performed under auspices of US DOE and supported by OBES, Div. of Chemical Sciences.

Possible modification of the cooling index of interstellar helium pickup ions by electron impact ionization in the inner heliosphere

NASA Astrophysics Data System (ADS)

Chen, Jun Hong; Bochsler, Peter; Möbius, Eberhard; Gloeckler, George

2014-09-01

Interstellar neutrals penetrating into the inner heliosphere are ionized by photoionization, charge exchange with solar wind ions, and electron impact ionization. These processes comprise the first step in the evolution of interstellar pickup ion (PUI) distributions. Typically, PUI distributions have been described in terms of velocity distribution functions that cool adiabatically under solar wind expansion, with a cooling index of 3/2. Recently, the cooling index has been determined experimentally in observations of He PUI distributions with Advanced Composition Explorer (ACE)/Solar Wind Ion Composition Spectrometer and found to vary substantially over the solar cycle. The experimental determination of the cooling index depends on the knowledge of the ionization rates and their spatial variation. Usually, ionization rates increase with 1/r2 as neutral particles approach the Sun, which is not exactly true for electron impact ionization, because the electron temperature increases with decreasing distance from the Sun due to the complexity of its distributions and different radial gradients in temperature. This different dependence on distance may become important in the study of the evolution of PUI distributions and is suspected as one of the potential reasons for the observed variation of the cooling index. Therefore, we investigate in this paper the impact of electron ionization on the variability of the cooling index. We find that the deviation of the electron ionization rate from the canonical 1/r2 behavior of other ionization processes plays only a minor role.

Low energy electron induced fragmentation and reactions of DNA and its molecular components

NASA Astrophysics Data System (ADS)

Bass, Andrew

2005-05-01

Much research has been stimulated by the recognition that ionizing radiation can, in condensed matter, generate large numbers of secondary electrons with energies less than 20 eV [1] and by the experimental demonstration that such electrons may induce both single and double strand breaks in plasmid DNA [2]. Identifying the underlying mechanisms involves several research methodologies, from further experiments with DNA to studies of the electron interaction with the component `sub-units' of DNA in both the gas and condensed phases [3]. In particular, understanding electron-induced strand break damage, the type of damage most difficult for organisms to repair, necessitates study of the sub-units of DNA back-bone, and here Tetrahyrofuran (THF) and its derivatives, provide a useful model for the furyl ring at the centre of the deoxyribose sugar. In this contribution, we review with particular reference to DNA and related molecules, the use of electron spectroscopy and mass spectrometry to study electron-induced fragmentation and reactions in thin molecular solids. We describe a newly completed instrument that combines laser post-ionization with a time-of-flight mass analyzer for highly sensitive ion and neutral detection. Use of the instrument is illustrated with results for THF and derivatives. Anion desorption measurements reveal the role of transient negative ions (TNI) and Dissociative Electron Attachment in significant molecular fragmentation and permit effective cross sections for this electron-induced damage to be obtained. The neutral yield functions also illustrate the importance of TNI, mirroring features seen in recently measured cross sections for electron induced aldehyde production in THF [4]. 1. J. A. Laverne and S. M. Pimblott, Radiat. Res. 141, 208 (1995) 2. B. Boudaiffa, et al, Science 287, 1658 (2000) 3. L. Sanche. Physica Scripta. 68, C108, (2003) 4. S.-P. Breton, et al.,J. Chem. Phys. 121, 11240 (2004)

ERCS08: A FORTRAN program equipped with a Windows graphics user interface that calculates ECPSSR cross sections for the removal of atomic electrons

NASA Astrophysics Data System (ADS)

Horvat, Vladimir

2009-06-01

ERCS08 is a program for computing the atomic electron removal cross sections. It is written in FORTRAN in order to make it more portable and easier to customize by a large community of physicists, but it also comes with a separate windows graphics user interface control application ERCS08w that makes it easy to quickly prepare the input file, run the program, as well as view and analyze the output. The calculations are based on the ECPSSR theory for direct (Coulomb) ionization and non-radiative electron capture. With versatility in mind, the program allows for selective inclusion or exclusion of individual contributions to the cross sections from effects such as projectile energy loss, Coulomb deflection of the projectile, perturbation of electron's stationary state (polarization and binding), as well as relativity. This makes it straightforward to assess the importance of each effect in a given collision regime. The control application also makes it easy to setup for calculations in inverse kinematics (i.e. ionization of projectile ions by target atoms or ions). Program summaryProgram title: ERCS08 Catalogue identifier: AECU_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AECU_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 12 832 No. of bytes in distributed program, including test data, etc.: 318 420 Distribution format: tar.gz Programming language: Once the input file is prepared (using a text editor or ERCS08w), all the calculations are done in FORTRAN using double precision. Computer: see "Operating system" below Operating system: The main program (ERCS08) can run on any computer equipped with a FORTRAN compiler. Its pre-compiled executable file (supplied) runs under DOS or Windows. The supplied graphics user interface control application (ERCS08w) requires a Windows operating system. ERCS08w is designed to be used along with a text editor. Any editor can be used, including the one that comes with the operating system (for example, Edit for DOS or Notepad for Windows). Classification: 16.7, 16.8 Nature of problem: ECPSSR has become a typical tag word for a theory that goes beyond the standard plane wave Born approximation (PWBA) in order to predict the cross sections for direct (Coulomb) ionization of atomic electrons by projectile ions, taking into account the energy loss (E) and Coulomb deflection (C) of the projectile, as well as the perturbed stationary state (PSS) and relativistic nature (R) of the target electron. Its treatment of non-radiative electron capture to the projectile goes beyond the Oppenheimer-Brinkman-Kramers approximation (OBK) to include the effects of C, PSS, and R. PSS is described in terms of increased target electron binding (B) due to the presence of the projectile in the vicinity of the target nucleus, and (for direct ionization only) polarization of the target electron cloud (P) while projectile is outside the electron's shell radius. Several modifications of the theory have been recently suggested or endorsed by one of its authors (Lapicki). These modifications are sometimes explicit in the tag word (for example, eCPSSR, eCUSR, ReCPSShsR, etc.) A cross section for the ionization of a target electron is assumed to equal the sum of the cross sections for direct ionization (DI) and electron capture (EC). Solution method: The calculations are based on the ECPSSR theory for direct (Coulomb) ionization and non-radiative electron capture. With versatility in mind, the program allows for selective inclusion or exclusion of individual contributions to the cross sections from effects such as projectile energy loss, Coulomb deflection of the projectile, perturbation of electron's stationary state (polarization and binding), as well as relativity. This makes it straightforward to assess the importance of each effect in a given collision regime. The control application also makes it easy to setup for calculations in inverse kinematics (i.e. ionization of projectile ions by target atoms or ions). Restrictions: The program is restricted to the ionization of K, L, and M electrons. The theory is non-relativistic, which effectively limits its applicability to projectile energies up to about 50 MeV/amu. However, the theory is extended to apply to relativistic light projectiles. Radiative electron capture is not taken into account, since its contribution is found to be negligible in the collision regimes covered by the ECPSSR theory. Unusual features: Windows graphics user interface along with a FORTRAN code for calculations, selective inclusion or exclusion of specific corrections, inclusion of the extension to relativistic light projectiles, inclusion of non-radiative electron capture. Running time: Running the program using the input data provided with the distribution only takes a few seconds.

Simulation of double stage hall thruster with double-peaked magnetic field

NASA Astrophysics Data System (ADS)

Ding, Yongjie; Li, Peng; Sun, Hezhi; Wei, Liqiu; Xu, Yu; Peng, Wuji; Su, Hongbo; Li, Hong; Yu, Daren

2017-07-01

This study adopts double permanent magnetic rings and four permanent magnetic rings to form two symmetrical magnetic peaks and two asymmetrical magnetic peaks in the channel of a Hall thruster, and uses a 2D-3V PIC-MCC model to analyze the influence of magnetic strength on the discharge characteristic and performance of Hall thrusters with an intermediate electrode and double-peaked magnetic field. As opposed to the two symmetrical magnetic peaks formed by double permanent magnetic rings, increasing the magnetic peak value deep within the channel can cause propellant ionization to occur; with the increase in the magnetic peak deep in the channel, the propellant utilization, thrust, and anode efficiency of the thruster are significantly improved. Double-peaked magnetic field can realize separate control of ionization and acceleration in a Hall thruster, and provide technical means for further improving thruster performance. Contribution to the Topical Issue "Physics of Ion Beam Sources", edited by Holger Kersten and Horst Neumann.

Single and multiple ionization of C{sub 60} fullerenes and collective effects in collisions with highly charged C, F, and Si ions with energy 3 MeV/u

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kelkar, A. H.; Kadhane, U.; Misra, D.

2010-10-15

We have measured absolute cross sections for single, double, triple, and quadruple ionization of C{sub 60} in collisions with 3 MeV/u C, F, and Si projectile ions at various projectile charge states. The experiment was performed using the recoil-ion time-of-flight technique. Projectile charge state dependence of the ionization yields was compared mainly with a model based on the giant dipole plasmon resonance (GDPR). In some cases, the continuum-distorted-wave-eikonal-initial-state (CDW-EIS) model which is normally applied for ion-atom collisions was also used as a reference. An excellent qualitative agreement between the experimental data for single and double ionization and the GDPR modelmore » predictions was found for all projectile charge states.« less

On the Effects of Bremsstrahlung Radiation During Energetic Electron Precipitation

NASA Astrophysics Data System (ADS)

Xu, Wei; Marshall, Robert A.; Fang, Xiaohua; Turunen, Esa; Kero, Antti

2018-01-01

Precipitation of energetic particles into the Earth's atmosphere can significantly change the properties, dynamics, as well as the chemical composition of the upper and middle atmosphere. In this paper, using Monte Carlo models, we simulate, from first principles, the interaction of monoenergetic beams of precipitating electrons with the atmosphere, with particular emphasis on the process of bremsstrahlung radiation and its resultant ionization production and atmospheric effects. The pitch angle dependence of the ionization rate profile has been quantified: the altitude of peak ionization rate depends on the pitch angle by a few kilometers. We also demonstrate that the transport of precipitating electron energy in the form of bremsstrahlung photons leads to ionization at altitudes significantly lower than the direct impact ionization, as low as ˜20 km for 1 MeV precipitating electrons. Moreover, chemical modeling results suggest that the chemical effects in the atmosphere due to bremsstrahlung-induced ionization production during energetic electron precipitation are likely insignificant.

Renormalization group method based on the ionization energy theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Arulsamy, Andrew Das, E-mail: sadwerdna@gmail.com; School of Physics, University of Sydney, Sydney, New South Wales 2006

2011-03-15

Proofs are developed to explicitly show that the ionization energy theory is a renormalized theory, which mathematically exactly satisfies the renormalization group formalisms developed by Gell-Mann-Low, Shankar and Zinn-Justin. However, the cutoff parameter for the ionization energy theory relies on the energy-level spacing, instead of lattice point spacing in k-space. Subsequently, we apply the earlier proofs to prove that the mathematical structure of the ionization-energy dressed electron-electron screened Coulomb potential is exactly the same as the ionization-energy dressed electron-phonon interaction potential. The latter proof is proven by means of the second-order time-independent perturbation theory with the heavier effective mass condition,more » as required by the electron-electron screened Coulomb potential. The outcome of this proof is that we can derive the heat capacity and the Debye frequency as a function of ionization energy, which can be applied in strongly correlated matter and nanostructures.« less

Electron affinities and ionization energies of Cu and Ag delafossite compounds: A hybrid functional study

NASA Astrophysics Data System (ADS)

Miao, Mao-Sheng; Yarbro, Sam; Barton, Phillip T.; Seshadri, Ram

2014-01-01

Using density functional theory with a hybrid functional, we calculate the ionization energies and electron affinities of a series of delafossite compounds (AMO2: A =Cu, Ag; M =B, Al, Ga, In, Sc). The alignments of the valence band maximum and the conduction band minimum, which directly relate to the ionization energies and electron affinities, were obtained by calculations of supercell slab models constructed in a nonpolar orientation. Our calculations reveal that the ionization energy decreases with an increasing atomic number of group-III elements, and thus suggest an improved p-type doping propensity for heavier compounds. For keeping both a low ionization energy and a band gap of sufficient size, CuScO2 is superior to the Cu-based group-III delafossites. By analyzing the electronic structures, we demonstrate that the compositional trend of the ionization energies and electron affinities is the result of a combined effect of d-band broadening due to Cu(Ag)-Cu(Ag) coupling and a repositioning of the d-band center.

Flagged uniform particle splitting for variance reduction in proton and carbon ion track-structure simulations

NASA Astrophysics Data System (ADS)

Ramos-Méndez, José; Schuemann, Jan; Incerti, Sebastien; Paganetti, Harald; Schulte, Reinhard; Faddegon, Bruce

2017-08-01

Flagged uniform particle splitting was implemented with two methods to improve the computational efficiency of Monte Carlo track structure simulations with TOPAS-nBio by enhancing the production of secondary electrons in ionization events. In method 1 the Geant4 kernel was modified. In method 2 Geant4 was not modified. In both methods a unique flag number assigned to each new split electron was inherited by its progeny, permitting reclassification of the split events as if produced by independent histories. Computational efficiency and accuracy were evaluated for simulations of 0.5-20 MeV protons and 1-20 MeV u-1 carbon ions for three endpoints: (1) mean of the ionization cluster size distribution, (2) mean number of DNA single-strand breaks (SSBs) and double-strand breaks (DSBs) classified with DBSCAN, and (3) mean number of SSBs and DSBs classified with a geometry-based algorithm. For endpoint (1), simulation efficiency was 3 times lower when splitting electrons generated by direct ionization events of primary particles than when splitting electrons generated by the first ionization events of secondary electrons. The latter technique was selected for further investigation. The following results are for method 2, with relative efficiencies about 4.5 times lower for method 1. For endpoint (1), relative efficiency at 128 split electrons approached maximum, increasing with energy from 47.2  ±  0.2 to 66.9  ±  0.2 for protons, decreasing with energy from 51.3  ±  0.4 to 41.7  ±  0.2 for carbon. For endpoint (2), relative efficiency increased with energy, from 20.7  ±  0.1 to 50.2  ±  0.3 for protons, 15.6  ±  0.1 to 20.2  ±  0.1 for carbon. For endpoint (3) relative efficiency increased with energy, from 31.0  ±  0.2 to 58.2  ±  0.4 for protons, 23.9  ±  0.1 to 26.2  ±  0.2 for carbon. Simulation results with and without splitting agreed within 1% (2 standard deviations) for endpoints (1) and (2), within 2% (1 standard deviation) for endpoint (3). In conclusion, standard particle splitting variance reduction techniques can be successfully implemented in Monte Carlo track structure codes.

Self-organization and self-limitation in high power impulse magnetron sputtering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Anders, Andre

The plasma over the racetrack in high power impulse magnetron sputtering develops in traveling ionization zones. Power densities can locally reach 10{sup 9} W/m{sup 2}, which is much higher than usually reported. Ionization zones move because ions are 'evacuated' by the electric field, exposing neutrals to magnetically confined, drifting electrons. Drifting secondary electrons amplify ionization of the same ionization zone where the primary ions came from, while sputtered and outgassing atoms are supplied to the following zone(s). Strong density gradients parallel to the target disrupt electron confinement: a negative feedback mechanism that stabilizes ionization runaway.

Probing electronic wave functions of sodium-doped clusters: Dyson orbitals, anisotropy parameters, and ionization cross-sections

DOE PAGES

Gunina, Anastasia O.; Krylov, Anna I.

2016-11-14

We apply high-level ab initio methods to describe the electronic structure of small clusters of ammonia and dimethylether (DME) doped with sodium, which provide a model for solvated electrons. We investigate the effect of the solvent and cluster size on the electronic states. We consider both energies and properties, with a focus on the shape of the electronic wave function and the related experimental observables such as photoelectron angular distributions. The central quantity in modeling photoionization experiments is the Dyson orbital, which describes the difference between the initial N-electron and final (N-1)-electron states of a system. Dyson orbitals enter themore » expression of the photoelectron matrix element, which determines total and partial photoionization cross-sections. We compute Dyson orbitals for the Na(NH3)n and Na(DME)m clusters using correlated wave functions (obtained with equation-of-motion coupled-cluster model for electron attachment with single and double substitutions) and compare them with more approximate Hartree-Fock and Kohn-Sham orbitals. As a result, we also analyze the effect of correlation and basis sets on the shapes of Dyson orbitals and the experimental observables.« less

Spontaneous-Desorption Ionizer for a TOF-MS

NASA Technical Reports Server (NTRS)

Schultz, J. Albert

2006-01-01

A time-of-flight mass spectrometer (TOF-MS) like the one mentioned in the immediately preceding article has been retrofitted with an ionizer based on a surface spontaneous-desorption process. This ionizer includes an electron multiplier in the form of a microchannel plate (MCP). Relative to an ionizer based on a hot-filament electron source, this ionizer offers advantages of less power consumption and greater mechanical ruggedness. The current density and stability characteristics of the electron emission of this ionizer are similar to those of a filament-based ionizer. In tests of various versions of this ionizer in the TOF-MS, electron currents up to 100 nA were registered. Currents of microamperes or more - great enough to satisfy requirements in most TOFMS applications - could be obtained by use of MCPs different from those used in the tests, albeit at the cost of greater bulk. One drawback of this ionizer is that the gain of the MCP decreases as a function of the charge extracted thus far; the total charge that can be extracted over the operational lifetime is about 1 coulomb. An MCP in the ion-detector portion of the TOF-MS is subject to the same limitation.

Monte Carlo wave-packet approach to trace nuclear dynamics in molecular excited states by XUV-pump-IR-probe spectroscopy

NASA Astrophysics Data System (ADS)

Jing, Qingli; Bello, Roger Y.; Martín, Fernando; Palacios, Alicia; Madsen, Lars Bojer

2018-04-01

Recent research interests have been raised in uncovering and controlling ultrafast dynamics in excited neutral molecules. In this work we generalize the Monte Carlo wave packet (MCWP) approach to XUV-pump-IR-probe schemes to simulate the process of dissociative double ionization of H2 where singly excited states in H2 are involved. The XUV pulse is chosen to resonantly excite the initial ground state of H2 to the lowest excited electronic state of 1Σu + symmetry in H2 within the Franck-Condon region. The delayed intense IR pulse couples the excited states of 1Σu + symmetry with the nearby excited states of 1Σg + symmetry. It also induces the first ionization from H2 to H2 + and the second ionization from H2 + to H++H+. To reduce the computational costs in the MCWP approach, a sampling method is proposed to determine in time the dominant ionization events from H2 to H2+. By conducting a trajectory analysis, which is a unique possibility within the MCWP approach, the origins of the characteristic features in the nuclear kinetic energy release spectra are identified for delays ranging from 0 to 140 fs and the nuclear dynamics in the singly excited states in H2 is mapped out.

Two types of fundamental luminescence of ionization-passive electrons and holes in optical dielectrics—Intraband-electron and interband-hole luminescence (theoretical calculation and comparison with experiment)

NASA Astrophysics Data System (ADS)

Vaisburd, D. I.; Kharitonova, S. V.

1997-11-01

A short high-power pulse of ionizing radiation creates a high concentration of nonequilibrium electrons and holes in a dielectric. They quickly lose their energy, generating a multiplicity of secondary quasiparticles: electron—hole pairs, excitons, plasmons, phonons of all types, and others. When the kinetic energy of an electron becomes less that some value EΔ≈(1.3-2)Eg it loses the ability to perform collisional ionization and electron excitations of the dielectric medium. Such an electron is said to be ionization-passive. It relaxes to the bottom of the lower conduction band by emitting phonons. Similarly a hole becomes ionization-passive when it “floats up” above some level EH and loses the ability for Auger ionization of the dielectric medium. It continues to float upward to the ceiling of the upper valance band only by emitting phonons. The concentrations of ionization-passive electrons and holes are larger by several orders of magnitude than those of the active electrons and holes and consequently make of a far larger contribution to many kinetic processes such as luminescence. Intraband and interband quantum transitions make the greatest contribution to the fundamental (independent of impurities and intrinsic defects) electromagnetic radiation of ionization-passive electrons and holes. Consequently the brightest types of purely fundamental luminescence of strongly nonequilibrium electrons and holes are intraband and interband luminescence. These forms of luminescence, discovered relatively recently, carry valuable information on the high-energy states of the electrons in the conduction band and of the holes in the valence band of a dielectric. Experimental investigations of these types of luminescence were made, mainly on alkali halide crystals which were excited by nanoseconal pulses of high-current-density electrons and by two-photon absorption of the ultraviolet harmonics of pulsed laser radiation beams of nanosecond and picosecond duration. The present article gives the results of theoretical calculations of the spectra and other characteristics of intraband electron and interband hole luminescence which are compared with the experimental data.

Electron impact ionization of metastable 2P-state hydrogen atoms in the coplanar geometry

NASA Astrophysics Data System (ADS)

Dhar, S.; Nahar, N.

Triple differential cross sections (TDCS) for the ionization of metastable 2P-state hydrogen atoms by electrons are calculated for various kinematic conditions in the asymmetric coplanar geometry. In this calculation, the final state is described by a multiple-scattering theory for ionization of hydrogen atoms by electrons. Results show qualitative agreement with the available experimental data and those of other theoretical computational results for ionization of hydrogen atoms from ground state, and our first Born results. There is no available other theoretical results and experimental data for ionization of hydrogen atoms from the 2P state. The present study offers a wide scope for the experimental study for ionization of hydrogen atoms from the metastable 2P state.

Electron-impact-ionization dynamics of S F6

NASA Astrophysics Data System (ADS)

Bull, James N.; Lee, Jason W. L.; Vallance, Claire

2017-10-01

A detailed understanding of the dissociative electron ionization dynamics of S F6 is important in the modeling and tuning of dry-etching plasmas used in the semiconductor manufacture industry. This paper reports a crossed-beam electron ionization velocity-map imaging study on the dissociative ionization of cold S F6 molecules, providing complete, unbiased kinetic energy distributions for all significant product ions. Analysis of these distributions suggests that fragmentation following single ionization proceeds via formation of S F5 + or S F3 + ions that then dissociate in a statistical manner through loss of F atoms or F2, until most internal energy has been liberated. Similarly, formation of stable dications is consistent with initial formation of S F4 2 + ions, which then dissociate on a longer time scale. These data allow a comparison between electron ionization and photoionization dynamics, revealing similar dynamical behavior. In parallel with the ion kinetic energy distributions, the velocity-map imaging approach provides a set of partial ionization cross sections for all detected ionic fragments over an electron energy range of 50-100 eV, providing partial cross sections for S2 +, and enables the cross sections for S F4 2 + from S F+ to be resolved.

Supression of laser breakdown by pulsed nonequilibrium ns discharge

NASA Astrophysics Data System (ADS)

Starikovskiy, A. Y.; Semenov, I. E.; Shneider, M. N.

2016-10-01

The avalanche ionization induced by infrared laser pulses was investigated in a pre-ionized argon gas. Pre-ionization was created by a high-voltage pulsed nanosecond discharge developed in the form of a fast ionization wave. Then, behind the front of ionization wave additional avalanche ionization was initiated by the focused Nd-YAG laser pulse. It was shown that the gas pre-ionization inhibits the laser spark generation. It was demonstrated that the suppression of laser spark development in the case of strong gas pre-ionization is because of fast electron energy transfer from the laser beam focal region. The main mechanism of this energy transfer is free electrons diffusion.

Differential cross sections for the electron impact ionization of Ar (3 p) atoms for equal energy final state electrons

NASA Astrophysics Data System (ADS)

Purohit, Ghanshyam; Singh, Prithvi

2017-06-01

The electron-impact ionization of inert gases for asymmetric final state energy sharing conditions has been studied in detail. However, there have been relatively few studies examining equal energy final state electrons. We report in this communication the results of triple differential cross sections (TDCSs) for electron impact ionization of Ar (3 p) for equal energy sharing of the outgoing electrons. We calculate TDCS in the modified distorted wave Born approximation (DWBA) formalism including post collision interaction (PCI) and polarization potential. We compare the results of our calculation with available measurements [Phys. Rev. A 87, 022712 (2013)]. We study the effect of PCI, target polarization on the trends of TDCS for the single ionization of Ar (3 p) targets.

Theoretical Calculations for Electron Impact Ionization of Atoms and Molecules

NASA Astrophysics Data System (ADS)

Amami, Sadek Mohamed Fituri

In the last twenty years, significant progress has been made for the theoretical treatment of electron impact ionization (e,2e) of atoms and molecules and, for some cases, very nice agreement between experiment and theory has been achieved. In particular, excellent agreement between theory and experiment and theory has been achieved for ionization of hydrogen and helium. However, agreement between experiment and theory is not nearly as good for ionization of larger atoms and molecules. In the first part of this dissertation, different theoretical approaches will be employed to study the triply differential cross section (TDCS) for low and intermediate energy electron-impact ionization of Neon and Argon for different orbital states. There is a very recent interest in studying ionization of Laser aligned atoms in order to get a better understanding about electron impact ionization of molecules. In the next part of this dissertation, results will be presented for electron-impact ionization of three laser aligned atoms, Mg, Ca, and Na. The comparison between the theory and experiment showed that our three body distorted wave (3DW) model gave excellent agreement with experiment in the scattering plane but very poor agreement perpendicular to the scattering plane. An explanation for this poor agreement out of the scattering plane has been provided by comparing our theoretical results with those of the time depended close coupling (TDCC) model and this explanation is also provided in this dissertation. Recently, significant attention has been directed towards obtaining a better under-standing of electron-impact ionization of molecules which are significantly more challenging than atoms. In the last part of this dissertation, results will be presented for electron-impact ionization of three different molecules (N2 , H2O, and CH4) which have been studied comprehensively using different theoretical approximations for different types of geometries. The published papers in section two contain a detailed analysis and discussion for each of these topics.

Degradation spectra and ionization yields of electrons in gases

DOE Office of Scientific and Technical Information (OSTI.GOV)

Inokuti, M.; Douthat, D.A.; Rau, A.R.P.

1975-01-01

Progress in the microscopic theory of electron degradation in gases by Platzman, Fano, and co-workers is outlined. The theory consists of (1) the cataloging of all major inelastic-collision cross sections for electrons (including secondary-electron energy distribution in a single ionizing collision) and (2) the evaluation of cumulative consequences of individual electron collisions for the electrons themselves as well as for target molecules. For assessing the data consistency and reliability and extrapolating the data to the unexplored ranges of variables (such as electron energy), a series of plots devised by Platzman are very powerful. Electron degradation spectra were obtained through numericalmore » solution of the Spencer--Fano equation for all electron energies down to the first ionization thresholds for a few examples such as He and Ne. The systematics of the solutions resulted in the recognition of approximate scaling properties of the degradation spectra for different initial electron energies and pointed to new methods of more efficient treatment. Systematics of the ionization yields and their energy dependence on the initial electron energy were also recognized. Finally, the Spencer--Fano equation for the degradation spectra and the Fowler equation for the ionization and other yields are tightly linked with each other by a set of variational principles. (52 references, 7 figures) (DLC)« less

Alignment, orientation, and Coulomb explosion of difluoroiodobenzene studied with the pixel imaging mass spectrometry (PImMS) camera.

PubMed

Amini, Kasra; Boll, Rebecca; Lauer, Alexandra; Burt, Michael; Lee, Jason W L; Christensen, Lauge; Brauβe, Felix; Mullins, Terence; Savelyev, Evgeny; Ablikim, Utuq; Berrah, Nora; Bomme, Cédric; Düsterer, Stefan; Erk, Benjamin; Höppner, Hauke; Johnsson, Per; Kierspel, Thomas; Krecinic, Faruk; Küpper, Jochen; Müller, Maria; Müller, Erland; Redlin, Harald; Rouzée, Arnaud; Schirmel, Nora; Thøgersen, Jan; Techert, Simone; Toleikis, Sven; Treusch, Rolf; Trippel, Sebastian; Ulmer, Anatoli; Wiese, Joss; Vallance, Claire; Rudenko, Artem; Stapelfeldt, Henrik; Brouard, Mark; Rolles, Daniel

2017-07-07

Laser-induced adiabatic alignment and mixed-field orientation of 2,6-difluoroiodobenzene (C 6 H 3 F 2 I) molecules are probed by Coulomb explosion imaging following either near-infrared strong-field ionization or extreme-ultraviolet multi-photon inner-shell ionization using free-electron laser pulses. The resulting photoelectrons and fragment ions are captured by a double-sided velocity map imaging spectrometer and projected onto two position-sensitive detectors. The ion side of the spectrometer is equipped with a pixel imaging mass spectrometry camera, a time-stamping pixelated detector that can record the hit positions and arrival times of up to four ions per pixel per acquisition cycle. Thus, the time-of-flight trace and ion momentum distributions for all fragments can be recorded simultaneously. We show that we can obtain a high degree of one-and three-dimensional alignment and mixed-field orientation and compare the Coulomb explosion process induced at both wavelengths.

Secondary scintillation yield of xenon with sub-percent levels of CO 2 additive for rare-event detection

DOE PAGES

Henriques, C. A. O.; Freitas, E. D. C.; Azevedo, C. D. R.; ...

2017-09-12

Xe–CO 2 mixtures are important alternatives to pure xenon in Time Projection Chambers (TPC) based on secondary scintillation (electroluminescence) signal amplification with applications in the important field of rare event detection such as directional dark matter, double electron capture and double beta decay detection. The addition of CO 2 to pure xenon at the level of 0.05–0.1% can reduce significantly the scale of electron diffusion from 10 mm / √m to 2.5mm / √m, with high impact on the discrimination efficiency of the events through pattern recognition of the topology of primary ionization trails. We have measured the electroluminescence (EL)more » yield of Xe–CO 2 mixtures, with sub-percent CO 2 concentrations. We demonstrate that the EL production is still high in these mixtures, 70% and 35% relative to that produced in pure xenon, for CO 2 concentrations around 0.05% and 0.1%, respectively. In conclusion, the contribution of the statistical fluctuations in EL production to the energy resolution increases with increasing CO 2 concentration, being smaller than the contribution of the Fano factor for concentrations below 0.1% CO 2.« less

Electron capture in collisions of S4+ with helium

NASA Astrophysics Data System (ADS)

Wang, J. G.; Turner, A. R.; Cooper, D. L.; Schultz, D. R.; Rakovic, M. J.; Fritsch, W.; Stancil, P. C.; Zygelman, B.

2002-07-01

Charge transfer due to collisions of ground-state S4+(3s2 1S) ions with helium is investigated for energies between 0.1 meV u-1 and 10 MeV u-1. Total and state-selective single electron capture (SEC) cross sections and rate coefficients are obtained utilizing the quantum mechanical molecular-orbital close-coupling (MOCC), atomic-orbital close-coupling (AOCC), classical trajectory Monte Carlo (CTMC) and continuum distorted wave methods. The MOCC calculations utilize ab initio adiabatic potentials and nonadiabatic radial coupling matrix elements obtained with the spin-coupled valence-bond approach. Previous data are limited to a calculation of the total SEC rate coefficient using the Landau-Zener model that is, in comparison to the results presented here, three orders of magnitude smaller. The MOCC SEC cross sections at low energy reveal a multichannel interference effect. True double capture is also investigated with the AOCC and CTMC approaches while autoionizing double capture and transfer ionization (TI) is explored with CTMC. SEC is found to be the dominant process except for E>200 keV u-1 when TI becomes the primary capture channel. Astrophysical implications are briefly discussed.

Two Carrier Analysis of Persistent Photoconductivity in Modulation-Doped Structures

NASA Technical Reports Server (NTRS)

Schacham, S. E.; Mena, R. A.; Haugland, E. J.; Alterovitz, S. A.

1995-01-01

A simultaneous fit of Hall and conductivity data gives quantitative results on the carrier concentration and mobility in both the quantum well and the parallel conduction channel. In this study this method was applied to reveal several new findings on the effect of persistent photoconductivity (PPC) on free-carrier concentrations and mobilities. The increase in the two-dimensional electron-gas (2DEG) concentration is significantly smaller than the apparent one derived from single carrier analysis of the Hall coefficient. In the two types of structures investigated, delta doped and continuously doped barrier, the apparent concentration almost doubles following illumination, while analysis reveals an increase of about 20% in the 2DEG. The effect of PPC on mobility depends on the structure. For the sample with a continuously doped barrier the mobility in the quantum well more than doubles. This increase is attributed to the effective screening of the ionized donors by the large electron concentration in the barrier. In the delta doped barrier sample the mobility is reduced by almost a factor of 2. This decrease is probably caused by strong coupling between the two wells, as is demonstrated by self-consistent analysis.

Secondary scintillation yield of xenon with sub-percent levels of CO2 additive for rare-event detection

NASA Astrophysics Data System (ADS)

Henriques, C. A. O.; Freitas, E. D. C.; Azevedo, C. D. R.; González-Díaz, D.; Mano, R. D. P.; Jorge, M. R.; Fernandes, L. M. P.; Monteiro, C. M. B.; Gómez-Cadenas, J. J.; Álvarez, V.; Benlloch-Rodríguez, J. M.; Borges, F. I. G. M.; Botas, A.; Cárcel, S.; Carríon, J. V.; Cebrían, S.; Conde, C. A. N.; Díaz, J.; Diesburg, M.; Esteve, R.; Felkai, R.; Ferrario, P.; Ferreira, A. L.; Goldschmidt, A.; Gutiérrez, R. M.; Hauptman, J.; Hernandez, A. I.; Hernando Morata, J. A.; Herrero, V.; Jones, B. J. P.; Labarga, L.; Laing, A.; Lebrun, P.; Liubarsky, I.; López-March, N.; Losada, M.; Martín-Albo, J.; Martínez-Lema, G.; Martínez, A.; McDonald, A. D.; Monrabal, F.; Mora, F. J.; Moutinho, L. M.; Muñoz Vidal, J.; Musti, M.; Nebot-Guinot, M.; Novella, P.; Nygren, D. R.; Palmeiro, B.; Para, A.; Pérez, J.; Querol, M.; Renner, J.; Ripoll, L.; Rodríguez, J.; Rogers, L.; Santos, F. P.; dos Santos, J. M. F.; Simón, A.; Sofka, C.; Sorel, M.; Stiegler, T.; Toledo, J. F.; Torrent, J.; Tsamalaidze, Z.; Veloso, J. F. C. A.; Webb, R.; White, J. T.; Yahlali, N.; NEXT Collaboration

2017-10-01

Xe-CO2 mixtures are important alternatives to pure xenon in Time Projection Chambers (TPC) based on secondary scintillation (electroluminescence) signal amplification with applications in the important field of rare event detection such as directional dark matter, double electron capture and double beta decay detection. The addition of CO2 to pure xenon at the level of 0.05-0.1% can reduce significantly the scale of electron diffusion from 10 mm /√{m} to 2.5 mm /√{m}, with high impact on the discrimination efficiency of the events through pattern recognition of the topology of primary ionization trails. We have measured the electroluminescence (EL) yield of Xe-CO2 mixtures, with sub-percent CO2 concentrations. We demonstrate that the EL production is still high in these mixtures, 70% and 35% relative to that produced in pure xenon, for CO2 concentrations around 0.05% and 0.1%, respectively. The contribution of the statistical fluctuations in EL production to the energy resolution increases with increasing CO2 concentration, being smaller than the contribution of the Fano factor for concentrations below 0.1% CO2.

Secondary scintillation yield of xenon with sub-percent levels of CO 2 additive for rare-event detection

DOE Office of Scientific and Technical Information (OSTI.GOV)

Henriques, C. A. O.; Freitas, E. D. C.; Azevedo, C. D. R.

Xe–CO 2 mixtures are important alternatives to pure xenon in Time Projection Chambers (TPC) based on secondary scintillation (electroluminescence) signal amplification with applications in the important field of rare event detection such as directional dark matter, double electron capture and double beta decay detection. The addition of CO 2 to pure xenon at the level of 0.05–0.1% can reduce significantly the scale of electron diffusion from 10 mm / √m to 2.5mm / √m, with high impact on the discrimination efficiency of the events through pattern recognition of the topology of primary ionization trails. We have measured the electroluminescence (EL)more » yield of Xe–CO 2 mixtures, with sub-percent CO 2 concentrations. We demonstrate that the EL production is still high in these mixtures, 70% and 35% relative to that produced in pure xenon, for CO 2 concentrations around 0.05% and 0.1%, respectively. In conclusion, the contribution of the statistical fluctuations in EL production to the energy resolution increases with increasing CO 2 concentration, being smaller than the contribution of the Fano factor for concentrations below 0.1% CO 2.« less

Population kinetics on K alpha lines of partially ionized Cl atoms.

PubMed

Kawamura, Tohru; Nishimura, Hiroaki; Koike, Fumihiro; Ochi, Yoshihiro; Matsui, Ryoji; Miao, Wen Yong; Okihara, Shinichiro; Sakabe, Shuji; Uschmann, Ingo; Förster, Eckhart; Mima, Kunioki

2002-07-01

A population kinetics code was developed to analyze K alpha emission from partially ionized chlorine atoms in hydrocarbon plasmas. Atomic processes are solved under collisional-radiative equilibrium for two-temperature plasmas. It is shown that the fast electrons dominantly contribute to ionize the K-shell bound electrons (i.e., inner-shell ionization) and the cold electrons to the outer-shell bound ones. Ratios of K alpha lines of partially ionized atoms are presented as a function of cold-electron temperature. The model was validated by observation of the K alpha lines from a chlorinated plastic target irradiated with 1 TW Ti:sapphire laser pulses at 1.5 x 10(17) W/cm(2), inferring a plasma temperature of about 100 eV on the target surface.

Electron impact ionization of cycloalkanes, aldehydes, and ketones

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gupta, Dhanoj; Antony, Bobby, E-mail: bka.ism@gmail.com

The theoretical calculations of electron impact total ionization cross section for cycloalkane, aldehyde, and ketone group molecules are undertaken from ionization threshold to 2 keV. The present calculations are based on the spherical complex optical potential formalism and complex scattering potential ionization contribution method. The results of most of the targets studied compare fairly well with the recent measurements, wherever available and the cross sections for many targets are predicted for the first time. The correlation between the peak of ionization cross sections with number of target electrons and target parameters is also reported. It was found that the crossmore » sections at their maximum depend linearly with the number of target electrons and with other target parameters, confirming the consistency of the values reported here.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hall, J.; Richard, P.; Gray, T.J.

The systematics of single and double K-shell-vacancy production in titanium has been investigated in the limit of zero target thickness (approx.1 ..mu..g/cm/sup 2/) for incident C, N, O, F, Mg, Al, Si, S, and Cl ions over a maximum energy range of 0.5 to 6.5 MeV/amu. This corresponds to collision systems with 0.27< or =Z/sub 1//Z/sub 2/< or =0.77 and 0.24< or =v/sub 1//vK< or =0.85, where v/sub 1/ is the projectile nuclear velocity and vK is the mean velocity of an electron in the target K shell. The present work is divided into four major sections. (1) Single K-shell-vacancymore » production has been investigated by measuring K..cap alpha.. and K..beta.. p satellite x-ray-production cross sections for projectiles incident with no K-shell vacancies. For incident ions with Z/sub 1/> or =9, the contribution due to electron-transfer processes from the target K shell to outer shells of the projectile has also been noted. (2) Single K-shell--to--K-shell electron-transfer cross sections have been obtained indirectly by the measuring of the enhancement in the Ti K x-ray production cross section for bare incident projectiles over ions incident with no initial K-shell vacancies. (3) Double K-vacancy production has been investigated by measuring the K..cap alpha.. hypersatellite intensity in ratio to the total K..cap alpha.. intensity. (4) Double K-shell--to--K-shell electron-transfer cross sections have been obtained indirectly with the use of a procedure similar to that used for single K to K transfer. The measured cross sections have been compared to theoretical models for direct Coulomb ionization and inner-shell electron transfer and have been used to investigate the relative importance of these mechanisms for K-vacancy production in heavy-ion--atom collisions.« less

FAST TRACK COMMUNICATION: Attosecond correlation dynamics during electron tunnelling from molecules

NASA Astrophysics Data System (ADS)

Walters, Zachary B.; Smirnova, Olga

2010-08-01

In this communication, we present an analytical theory of strong-field ionization of molecules, which takes into account the rearrangement of multiple interacting electrons during the ionization process. We show that such rearrangement offers an alternative pathway to the ionization of orbitals more deeply bound than the highest occupied molecular orbital. This pathway is not subject to the full exponential suppression characteristic of direct tunnel ionization from the deeper orbitals. The departing electron produces an 'attosecond correlation pulse' which controls the rearrangement during the tunnelling process. The shape and duration of this pulse are determined by the electronic structure of the relevant states, molecular orientation and laser parameters.

Demonstration of self-truncated ionization injection for GeV electron beams

PubMed Central

Mirzaie, M.; Li, S.; Zeng, M.; Hafz, N. A. M.; Chen, M.; Li, G. Y.; Zhu, Q. J.; Liao, H.; Sokollik, T.; Liu, F.; Ma, Y. Y.; Chen, L.M.; Sheng, Z. M.; Zhang, J.

2015-01-01

Ionization-induced injection mechanism was introduced in 2010 to reduce the laser intensity threshold for controllable electron trapping in laser wakefield accelerators (LWFA). However, usually it generates electron beams with continuous energy spectra. Subsequently, a dual-stage target separating the injection and acceleration processes was regarded as essential to achieve narrow energy-spread electron beams by ionization injection. Recently, we numerically proposed a self-truncation scenario of the ionization injection process based upon overshooting of the laser-focusing in plasma which can reduce the electron injection length down to a few hundred micrometers, leading to accelerated beams with extremely low energy-spread in a single-stage. Here, using 100 TW-class laser pulses we report experimental observations of this injection scenario in centimeter-long plasma leading to the generation of narrow energy-spread GeV electron beams, demonstrating its robustness and scalability. Compared with the self-injection and dual-stage schemes, the self-truncated ionization injection generates higher-quality electron beams at lower intensities and densities, and is therefore promising for practical applications. PMID:26423136

Injection and trapping of tunnel-ionized electrons into laser-produced wakes.

PubMed

Pak, A; Marsh, K A; Martins, S F; Lu, W; Mori, W B; Joshi, C

2010-01-15

A method, which utilizes the large difference in ionization potentials between successive ionization states of trace atoms, for injecting electrons into a laser-driven wakefield is presented. Here a mixture of helium and trace amounts of nitrogen gas was used. Electrons from the K shell of nitrogen were tunnel ionized near the peak of the laser pulse and were injected into and trapped by the wake created by electrons from majority helium atoms and the L shell of nitrogen. The spectrum of the accelerated electrons, the threshold intensity at which trapping occurs, the forward transmitted laser spectrum, and the beam divergence are all consistent with this injection process. The experimental measurements are supported by theory and 3D OSIRIS simulations.

Benchmark study of ionization potentials and electron affinities of armchair single-walled carbon nanotubes using density functional theory

NASA Astrophysics Data System (ADS)

Zhou, Bin; Hu, Zhubin; Jiang, Yanrong; He, Xiao; Sun, Zhenrong; Sun, Haitao

2018-05-01

The intrinsic parameters of carbon nanotubes (CNTs) such as ionization potential (IP) and electron affinity (EA) are closely related to their unique properties and associated applications. In this work, we demonstrated the success of optimal tuning method based on range-separated (RS) density functionals for both accurate and efficient prediction of vertical IPs and electron affinities (EAs) of a series of armchair single-walled carbon nanotubes C20n H20 (n  =  2–6) compared to the high-level IP/EA equation-of-motion coupled-cluster method with single and double substitutions (IP/EA-EOM-CCSD). Notably, the resulting frontier orbital energies (–ε HOMO and –ε LUMO) from the tuning method exhibit an excellent approximation to the corresponding IPs and EAs, that significantly outperform other conventional density functionals. In addition, it is suggested that the RS density functionals that possess both a fixed amount of exact exchange in the short-range and a correct long-range asymptotic behavior are suitable for calculating electronic structures of finite-sized CNTs. Next the performance of density functionals for description of various molecular properties such as chemical potential, hardness and electrophilicity are assessed as a function of tube length. Thanks to the efficiency and accuracy of this tuning method, the related behaviors of much longer armchair single-walled CNTs until C200H20 were studied. Lastly, the present work is proved to provide an efficient theoretical tool for future materials design and reliable characterization of other interesting properties of CNT-based systems.

Valence shell threshold photoelectron spectroscopy of the CHxCN (x = 0-2) and CNC radicals.

PubMed

Garcia, Gustavo A; Krüger, Julia; Gans, Bérenger; Falvo, Cyril; Coudert, Laurent H; Loison, Jean-Christophe

2017-07-07

We present the photoelectron spectroscopy of four radical species, CH x CN (x = 0-2) and CNC, formed in a microwave discharge flow-tube reactor by consecutive H abstractions from CH 3 CN (CH x CN + F → CH x-1 CN + HF (x = 1-3)). The spectra were obtained combining tunable vacuum ultraviolet synchrotron radiation with double imaging electron/ion coincidence techniques, which yielded mass-selected threshold photoelectron spectra. The results obtained for H 2 CCN complement existing ones while for the other radicals the data represent the first observation of their (single-photon) ionizing transitions. In the case of H 2 CCN, Franck-Condon calculations have been performed in order to assign the vibrational structure of the X + 1 A 1 ←X 2 B 1 ionizing transition. A similar treatment for the HCCN, CCN, and CNC radicals appeared to be more complicated mainly because a Renner-Teller effect strongly affects the vibrational levels of the ground electronic state of the HCCN + , CCN, and CNC species. Nevertheless, the first adiabatic ionization energies of these radicals are reported and compared to our ab initio calculated values, leading to new values for enthalpies of formation (Δ f H 298 0 (HCCN + (X 2 A ' ))=1517±12kJmol -1 ,Δ f H 298 0 (CCN(X 2 Π))=682±13kJmol -1 , and Δ f H 298 0 (CNC(X 2 Πg))=676±12kJmol -1 ), which are of fundamental importance for astrochemistry.

Capillary atmospheric pressure electron capture ionization (cAPECI): a highly efficient ionization method for nitroaromatic compounds.

PubMed

Derpmann, Valerie; Mueller, David; Bejan, Iustinian; Sonderfeld, Hannah; Wilberscheid, Sonja; Koppmann, Ralf; Brockmann, Klaus J; Benter, Thorsten

2014-03-01

We report on a novel method for atmospheric pressure ionization of compounds with elevated electron affinity (e.g., nitroaromatic compounds) or gas phase acidity (e.g., phenols), respectively. The method is based on the generation of thermal electrons by the photo-electric effect, followed by electron capture of oxygen when air is the gas matrix yielding O2(-) or of the analyte directly with nitrogen as matrix. Charge transfer or proton abstraction by O2(-) leads to the ionization of the analytes. The interaction of UV-light with metals is a clean method for the generation of thermal electrons at atmospheric pressure. Furthermore, only negative ions are generated and neutral radical formation is minimized, in contrast to discharge- or dopant assisted methods. Ionization takes place inside the transfer capillary of the mass spectrometer leading to comparably short transfer times of ions to the high vacuum region of the mass spectrometer. This strongly reduces ion transformation processes, resulting in mass spectra that more closely relate to the neutral analyte distribution. cAPECI is thus a soft and selective ionization method with detection limits in the pptV range. In comparison to standard ionization methods (e.g., PTR), cAPECI is superior with respect to both selectivity and achievable detection limits. cAPECI demonstrates to be a promising ionization method for applications in relevant fields as, for example, explosives detection and atmospheric chemistry.

Ionization of Interstellar Hydrogen Beyond the Termination Shock

NASA Astrophysics Data System (ADS)

Gruntman, Mike

2016-11-01

Models of solar wind interaction with the surrounding interstellar medium usually disregard ionization of interstellar hydrogen atoms beyond the solar wind termination shock. If and when included, the effects of ionization in the heliospheric interface region are often obscured by complexities of the interaction. This work assesses the importance of interstellar hydrogen ionization in the heliosheath. Photoionization could be accounted for in a straightforward way. In contrast, electron impact ionization is largely unknown because of poorly understood energy transfer to electrons at the termination shock and beyond. We first estimate the effect of photoionization and then use it as a yardstick to assess the role of electron impact ionization. The physical estimates show that ionization of interstellar hydrogen may lead to significant mass loading in the inner heliosheath which would slow down plasma flowing toward the heliotail and deplete populations of nonthermal protons, with the corresponding effect on heliospheric fluxes of energetic neutral atoms.

Hydrogenic molecular transitions in double concentric quantum donuts by changing geometrical parameters

NASA Astrophysics Data System (ADS)

Ospina-Londoño, D. A.; Fulla, M. R.; Marín, J. H.

2013-03-01

In this work it is considered a versatile model to study two different ionization processes starting from a D20 homonuclear hydrogenic molecule confined in double concentric quantum donuts. Very narrow quantum donut circular cross sections are considered to separate the radial and angular variables in the D20 Hamiltonian by using the well-known adiabatic approximation D20 total energy as a function of the inter donor spacing and the outer donut center line radius is calculated. The salient features of an artificial D20 hydrogenic molecule such as the dissociation energy and the equilibrium length are strongly dependent on the quantum donut geometrical parameters. By increasing systematically the quantum donut outer center line radius, it is possible to understand a first ionization process: D20→D2++e-. A second ionization process D20→D-+D+ can be carried out by fixing the first donor position and gradually moving away the second one. The results obtained in this study are in good agreement with those previously obtained in the limiting cases of very large inter donor separation. The model proposed here is computationally economical and provides a realistic description of both ionization processes and the few-particle system confined in double concentric quantum donuts.

Photoelectron imaging of doped helium nanodroplets

NASA Astrophysics Data System (ADS)

Neumark, Daniel

2008-03-01

Photoelectron images of helium nanodroplets doped with Kr and Ne atoms are reported. The images and resulting photoelectron spectra were obtained using tunable synchrotron radiation to ionize the droplets. Droplets were excited at 21.6 eV, corresponding to a strong droplet electronic excitation. The rare gas dopant is then ionized via a Penning excitation transfer process. The electron kinetic energy distributions reflect complex ionization and electron escape dynamics.

Electron emission from transfer ionization reaction in 30 keV amu‑1 He 2+ on Ar collision

NASA Astrophysics Data System (ADS)

Amaya-Tapia, A.; Antillón, A.; Estrada, C. D.

2018-06-01

A model is presented that describes the transfer ionization process in H{e}2++Ar collision at a projectile energy of 30 keV amu‑1. It is based on a semiclassical independent-particle close-coupling method that yields a reasonable agreement between calculated and experimental values of the total single-ionization and single-capture cross sections. It is found that the transfer ionization reaction is predominantly carried out through simultaneous capture and ionization, rather than by sequential processes. The transfer-ionization differential cross section in energy that is obtained satisfactorily reproduces the global behavior of the experimental data. Additionally, the probabilities of capture and ionization as function of the impact parameter for H{e}2++A{r}+ and H{e}++A{r}+ collisions are calculated, as far as we know, for the first time. The results suggest that the model captures essential elements that describe the two-electron transfer ionization process and could be applied to systems and processes of two electrons.

Electron-Impact Ionization Cross Section Database

National Institute of Standards and Technology Data Gateway

SRD 107 Electron-Impact Ionization Cross Section Database (Web, free access)   This is a database primarily of total ionization cross sections of molecules by electron impact. The database also includes cross sections for a small number of atoms and energy distributions of ejected electrons for H, He, and H2. The cross sections were calculated using the Binary-Encounter-Bethe (BEB) model, which combines the Mott cross section with the high-incident energy behavior of the Bethe cross section. Selected experimental data are included.

Double gate impact ionization MOS transistor: Proposal and investigation

NASA Astrophysics Data System (ADS)

Yang, Zhaonian; Zhang, Yue; Yang, Yuan; Yu, Ningmei

2017-02-01

In this paper, a double gate impact ionization MOS (DG-IMOS) transistor with improved performance is proposed and investigated by TCAD simulation. In the proposed design, a second gate is introduced in a conventional impact ionization MOS (IMOS) transistor that lengthens the equivalent channel length and suppresses the band-to-band tunneling. The OFF-state leakage current is reduced by over four orders of magnitude. At the ON-state, the second gate is negatively biased in order to enhance the electric field in the intrinsic region. As a result, the operating voltage does not increase with the increase in the channel length. The simulation result verifies that the proposed DG-IMOS achieves a better switching characteristic than the conventional is achieved. Lastly, the application of the DG-IMOS is discussed theoretically.

Single-shot carrier-envelope-phase-tagged ion-momentum imaging of nonsequential double ionization of argon in intense 4-fs laser fields

DOE Office of Scientific and Technical Information (OSTI.GOV)

Johnson, Nora G.; Herrwerth, O.; Wirth, A.

2011-01-15

Single-shot carrier-envelope-phase (CEP) tagging is combined with a reaction mircoscope (REMI) to investigate CEP-dependent processes in atoms. Excellent experimental stability and data acquisition longevity are achieved. Using this approach, we study the CEP effects for nonsequential double ionization of argon in 4-fs laser fields at 750 nm and an intensity of 1.6x10{sup 14} W/cm{sup 2}. The Ar{sup 2+} ionization yield shows a pronounced CEP dependence which compares well with recent theoretical predictions employing quantitative rescattering theory [S. Micheau et al., Phys. Rev. A 79, 013417 (2009)]. Furthermore, we find strong CEP influences on the Ar{sup 2+} momentum spectra along themore » laser polarization axis.« less

High-Sensitivity Ionization Trace-Species Detector

NASA Technical Reports Server (NTRS)

Bernius, Mark T.; Chutjian, Ara

1990-01-01

Features include high ion-extraction efficiency, compactness, and light weight. Improved version of previous ionization detector features in-line geometry that enables extraction of almost every ion from region of formation. Focusing electrodes arranged and shaped into compact system of space-charge-limited reversal electron optics and ion-extraction optics. Provides controllability of ionizing electron energies, greater efficiency of ionization, and nearly 100 percent ion-collection efficiency.

A highly sensitive electron spectrometer for crossed-beam collisional ionization: A retarding-type magnetic bottle analyzer and its application to collision-energy resolved Penning ionization electron spectroscopy

NASA Astrophysics Data System (ADS)

Yamakita, Yoshihiro; Tanaka, Hideyasu; Maruyama, Ryo; Yamakado, Hideo; Misaizu, Fuminori; Ohno, Koichi

2000-08-01

A highly sensitive electron energy analyzer which utilizes a "magnetic bottle" combined with a retarding electrostatic field has been developed for Penning ionization electron spectroscopy. A beam of metastable rare-gas atoms is crossed with a continuous supersonic sample beam in the source region of the analyzer. The emitted electrons are collected by an inhomogeneous magnetic field (the magnetic bottle effect) with a high efficiency of nearly 4π solid angle, which is more than 103 times higher than that of a conventional hemispherical analyzer. The kinetic energy of electrons is analyzed by scanning the retarding field in a flight tube of the analyzer in the presence of a weak magnetic field. The velocity of the metastable atoms can also be resolved by a time-of-flight method in the present instrument. Examples of Penning ionization electron energy spectra as a function of collision energy are presented for Ar and N2 with metastable He*(2 3S) atoms. This instrument has opened the possibility for extensive studies of Penning ionization electron spectroscopy for low-density species, such as clusters, ions, electronically excited species, unstable or transient species, and large molecules with low volatility.

Reduction of the ionization energy for 1s-electrons in dense aluminum plasmas

NASA Astrophysics Data System (ADS)

Lin, C.; Reinholz, H.; Röpke, G.

2017-02-01

The properties of a bound multi-electron system immersed in a plasma environment are strongly modified by the surrounding plasma. In particular, the modification of the ionization energy is described by the electronic self-energy within the framework of the quantum statistical theory. We present the energy shift of the eigenstates and the lowering of the continuum edge of free electrons in a plasma. The reduction of the ionization potential is determined by their difference. This ionization potential depression for the 1s-levels in dense aluminum plasmas is calculated. Comparisons with other theories and the experimental data are shown for aluminum plasma at solid density 2.7 g/cm3.

Neon in ultrashort and intense x-rays from free electron lasers

NASA Astrophysics Data System (ADS)

Buth, Christian; Beerwerth, Randolf; Obaid, Razib; Berrah, Nora; Cederbaum, Lorenz S.; Fritzsche, Stephan

2018-03-01

We theoretically examine neon atoms in ultrashort and intense x-rays from free electron lasers and compare our results with data from experiments conducted at the Linac Coherent Light Source. For this purpose, we treat in detail the electronic structure in all possible nonrelativistic cationic configurations using a relativistic multiconfiguration approach. The interaction with the x-rays is described in rate-equation approximation. To understand the mechanisms of the interaction, a path analysis is devised which allows us to investigate what sequences of photoionization and decay processes lead to a specific configuration and with what probability. Thereby, we uncover a connection to the mathematics of graph theory and formal languages. In detail, we study the ion yields and find that plain rate equations do not provide a satisfactory description. We need to extend the rate equations for neon to incorporate double Auger decay of a K-shell vacancy and photoionization shake off for neutral neon. Shake off is included for valence and core ionization; the former has hitherto been overlooked but has important consequences for the ion yields from an x-ray energy below the core ionization threshold. Furthermore, we predict the photon yields from XUV and x-ray fluorescence these allow one insights into the configurations populated by the interaction with the x-rays. Finally, we discover that inaccuracies in those Auger decay widths employed in previous studies have only a minor influence on ion and photon yields.

Electron interference effects in energetic photoelectrons from C60@C240 probed by the Fourier spectroscopy

NASA Astrophysics Data System (ADS)

McCreary, Meghan; Chakraborty, Himadri

2013-05-01

The ground state structure of the simplest two-fullerene onion system, the C60@C240 molecule, is solved in the Kohn-Sham framework of local density approximation (LDA). Calculations are carried out with delocalized carbon valence electrons after modeling the onion ion-core of sixty C4+ ions from C60 and two hundred and forty of those from C240 in a smeared out jellium-type double-shell structure. Ionization cross sections of all the levels are then calculated in both independent particle LDA and many-particle time dependent LDA approaches at photon energies above the plasmon resonances. These high-energy results exhibit rich structures of energy dependent oscillations from the quantum interference of electron waves produced at the edges of the fullerene layers. A detailed scrutiny of these structures is conducted by Fourier transforming the spectra to the configuration space that relates the oscillations to the onion geometry. Supported by NSF and DOE.

Ionizing radiation changes the electronic properties of melanin and enhances the growth of melanized fungi.

PubMed

Dadachova, Ekaterina; Bryan, Ruth A; Huang, Xianchun; Moadel, Tiffany; Schweitzer, Andrew D; Aisen, Philip; Nosanchuk, Joshua D; Casadevall, Arturo

2007-05-23

Melanin pigments are ubiquitous in nature. Melanized microorganisms are often the dominating species in certain extreme environments, such as soils contaminated with radionuclides, suggesting that the presence of melanin is beneficial in their life cycle. We hypothesized that ionizing radiation could change the electronic properties of melanin and might enhance the growth of melanized microorganisms. Ionizing irradiation changed the electron spin resonance (ESR) signal of melanin, consistent with changes in electronic structure. Irradiated melanin manifested a 4-fold increase in its capacity to reduce NADH relative to non-irradiated melanin. HPLC analysis of melanin from fungi grown on different substrates revealed chemical complexity, dependence of melanin composition on the growth substrate and possible influence of melanin composition on its interaction with ionizing radiation. XTT/MTT assays showed increased metabolic activity of melanized C. neoformans cells relative to non-melanized cells, and exposure to ionizing radiation enhanced the electron-transfer properties of melanin in melanized cells. Melanized Wangiella dermatitidis and Cryptococcus neoformans cells exposed to ionizing radiation approximately 500 times higher than background grew significantly faster as indicated by higher CFUs, more dry weight biomass and 3-fold greater incorporation of (14)C-acetate than non-irradiated melanized cells or irradiated albino mutants. In addition, radiation enhanced the growth of melanized Cladosporium sphaerospermum cells under limited nutrients conditions. Exposure of melanin to ionizing radiation, and possibly other forms of electromagnetic radiation, changes its electronic properties. Melanized fungal cells manifested increased growth relative to non-melanized cells after exposure to ionizing radiation, raising intriguing questions about a potential role for melanin in energy capture and utilization.

Relativistic runaway ionization fronts.

PubMed

Luque, A

2014-01-31

We investigate the first example of self-consistent impact ionization fronts propagating at relativistic speeds and involving interacting, high-energy electrons. These fronts, which we name relativistic runaway ionization fronts, show remarkable features such as a bulk speed within less than one percent of the speed of light and the stochastic selection of high-energy electrons for further acceleration, which leads to a power-law distribution of particle energies. A simplified model explains this selection in terms of the overrun of Coulomb-scattered electrons. Appearing as the electromagnetic interaction between electrons saturates the exponential growth of a relativistic runaway electron avalanche, relativistic runaway ionization fronts may occur in conjunction with terrestrial gamma-ray flashes and thus explain recent observations of long, power-law tails in the terrestrial gamma-ray flash energy spectrum.

Coincidence electron/ion imaging with a fast frame camera

NASA Astrophysics Data System (ADS)

Li, Wen; Lee, Suk Kyoung; Lin, Yun Fei; Lingenfelter, Steven; Winney, Alexander; Fan, Lin

2015-05-01

A new time- and position- sensitive particle detection system based on a fast frame CMOS camera is developed for coincidence electron/ion imaging. The system is composed of three major components: a conventional microchannel plate (MCP)/phosphor screen electron/ion imager, a fast frame CMOS camera and a high-speed digitizer. The system collects the positional information of ions/electrons from a fast frame camera through real-time centroiding while the arrival times are obtained from the timing signal of MCPs processed by a high-speed digitizer. Multi-hit capability is achieved by correlating the intensity of electron/ion spots on each camera frame with the peak heights on the corresponding time-of-flight spectrum. Efficient computer algorithms are developed to process camera frames and digitizer traces in real-time at 1 kHz laser repetition rate. We demonstrate the capability of this system by detecting a momentum-matched co-fragments pair (methyl and iodine cations) produced from strong field dissociative double ionization of methyl iodide. We further show that a time resolution of 30 ps can be achieved when measuring electron TOF spectrum and this enables the new system to achieve a good energy resolution along the TOF axis.

Electron Impact Ionization: A New Parameterization for 100 eV to 1 MeV Electrons

NASA Technical Reports Server (NTRS)

Fang, Xiaohua; Randall, Cora E.; Lummerzheim, Dirk; Solomon, Stanley C.; Mills, Michael J.; Marsh, Daniel; Jackman, Charles H.; Wang, Wenbin; Lu, Gang

2008-01-01

Low, medium and high energy electrons can penetrate to the thermosphere (90-400 km; 55-240 miles) and mesosphere (50-90 km; 30-55 miles). These precipitating electrons ionize that region of the atmosphere, creating positively charged atoms and molecules and knocking off other negatively charged electrons. The precipitating electrons also create nitrogen-containing compounds along with other constituents. Since the electron precipitation amounts change within minutes, it is necessary to have a rapid method of computing the ionization and production of nitrogen-containing compounds for inclusion in computationally-demanding global models. A new methodology has been developed, which has parameterized a more detailed model computation of the ionizing impact of precipitating electrons over the very large range of 100 eV up to 1,000,000 eV. This new parameterization method is more accurate than a previous parameterization scheme, when compared with the more detailed model computation. Global models at the National Center for Atmospheric Research will use this new parameterization method in the near future.

Light/negative bias stress instabilities in indium gallium zinc oxide thin film transistors explained by creation of a double donor

NASA Astrophysics Data System (ADS)

Migliorato, Piero; Delwar Hossain Chowdhury, Md; Gwang Um, Jae; Seok, Manju; Jang, Jin

2012-09-01

The analysis of current-voltage (I-V) and capacitance-voltage (C-V) characteristics for amorphous indium gallium zinc oxide Thin film transistors as a function of active layer thickness shows that negative bias under illumination stress (NBIS) is quantitatively explained by creation of a bulk double donor, with a shallow singly ionized state ɛ(0/+) > EC-0.073 eV and a deep doubly ionized state ɛ(++/+) < EC-0.3 eV. The gap density of states, extracted from the capacitance-voltage curves, shows a broad peak between EC-E = 0.3 eV and 1.0 eV, which increases in height with NBIS stress time and corresponds to the broadened transition energy between singly and doubly ionized states. We propose that the center responsible is an oxygen vacancy and that the presence of a stable singly ionized state, necessary to explain our experimental results, could be due to the defect environment provided by the amorphous network.

High-quality electron beams from beam-driven plasma accelerators by wakefield-induced ionization injection.

PubMed

Martinez de la Ossa, A; Grebenyuk, J; Mehrling, T; Schaper, L; Osterhoff, J

2013-12-13

We propose a new and simple strategy for controlled ionization-induced trapping of electrons in a beam-driven plasma accelerator. The presented method directly exploits electric wakefields to ionize electrons from a dopant gas and capture them into a well-defined volume of the accelerating and focusing wake phase, leading to high-quality witness bunches. This injection principle is explained by example of three-dimensional particle-in-cell calculations using the code OSIRIS. In these simulations a high-current-density electron-beam driver excites plasma waves in the blowout regime inside a fully ionized hydrogen plasma of density 5×10(17)cm-3. Within an embedded 100  μm long plasma column contaminated with neutral helium gas, the wakefields trigger ionization, trapping of a defined fraction of the released electrons, and subsequent acceleration. The hereby generated electron beam features a 1.5 kA peak current, 1.5  μm transverse normalized emittance, an uncorrelated energy spread of 0.3% on a GeV-energy scale, and few femtosecond bunch length.

Threshold law for electron-atom impact ionization

NASA Technical Reports Server (NTRS)

Temkin, A.

1982-01-01

A derivation of the explicit form of the threshold law for electron impact ionization of atoms is presented, based on the Coulomb-dipole theory. The important generalization is made of using a dipole function whose moment is the dipole moment formed by an inner electron and the nucleus. The result is a modulated quasi-linear law for the yield of positive ions which applies to positron-atom impact ionization.

Basic Mechanisms of Radiation Effects in Electronic Materials and Devices

DTIC Science & Technology

1987-09-01

power as function of particle energy for electrons and protons Incident on silic,,n...8217-Mev 0000 Neutrons0 0 Fluenoe n/oma e 1-MeV equivalent fluenos n/orm DlSlLAOUMllW Ionizing radltlon O Stopping power (linear energy MeV/(g/om...from the interaction of radiation energy that goes Into ionization Is given by the stop- with electronic materials are Ionization (primarily ping power

Production of low kinetic energy electrons and energetic ion pairs by Intermolecular Coulombic Decay.

PubMed

Hergenhahn, Uwe

2012-12-01

The paper gives an introduction into Interatomic and Intermolecular Coulombic Decay (ICD). ICD is an autoionization process, which contrary to Auger decay involves neighbouring sites of the initial vacancy as an integral part of the decay transition. As a result of ICD, slow electrons are produced which generally are known to be active in radiation damage. The author summarizes the properties of ICD and reviews a number of important experiments performed in recent years. Intermolecular Coulombic Decay can generally take place in weakly bonded aggregates in the presence of ionizing particles or ionizing radiation. Examples collected here mostly use soft X-rays produced by synchrotron radiation to ionize, and use rare-gas clusters, water clusters or solutes in a liquid jet to observe ICD after irradiation. Intermolecular Coulombic Decay is initiated by single ionization into an excited state. The subsequent relaxation proceeds via an ultra-fast energy transfer to a neighbouring site, where a second ionization occurs. Secondary electrons from ICD have clearly been identified in numerous systems. ICD can take place after primary ionization, as the second step of a decay cascade which also involves Auger decay, or after resonant excitation with an energy which exceeds the ionization potential of the system. ICD is expected to play a role whenever particles or radiation with photon energies above the ionization energies for inner valence electrons are present in weakly bonded matter, e.g., biological tissue. The process produces at the same time a slow electron and two charged atomic or molecular fragments, which will lead to structural changes around the ionized site.

Single electron dynamics in a Hall thruster electromagnetic field profile

NASA Astrophysics Data System (ADS)

Marini, Samuel; Pakter, Renato

2017-05-01

In this work, the single electron dynamics in a simplified three dimensional Hall thruster model is studied. Using Hamiltonian formalism and the concept of limiting curves, one is able to determine confinement conditions for the electron in the acceleration channel. It is shown that as a given parameter of the electromagnetic field is changed, the particle trajectory may transit from regular to chaotic without affecting the confinement, which allows one to make a detailed analysis of the role played by the chaos. The ionization volume is also computed, which measures the probability of an electron to ionize background gas atoms. It is found that there is a great correlation between chaos and increased effective ionization volume. This indicates that a complex dynamical behavior may improve the device efficiency by augmenting the ionization capability of each electron, requiring an overall lower electron current.

Modeling of Microplasmas with Nano-Engineered Electrodes

NASA Astrophysics Data System (ADS)

Macheret, Sergey; Tholeti, Siva Shashank; Alexeenko, Alina

2015-09-01

Microplasmas can potentially be used as unique tunable dielectrics for reconfigurable radio-frequency systems, if electron densities of 1010-1012 cm-3 can be sustained in cavities smaller than 100 micron. However, for low loss tangent, gas pressures below 10 mTorr would be required, whereas the physics of electron impact ionization dictates the pd scaling so that microplasmas must operate at high gas pressures, hundreds of Torr, and also high voltages. We analyze a new principle of plasma generation that goes well beyond the pd scaling by eliminating electron impact ionization. In the new concept, electrons are generated at the cathode by field emission from nanotubes, and ions are independently produced in field ionization at atomically-sharp tips on the anode. The electrons and ions then move in the opposite directions, mix, and create a plasma. The low pressure results in collisionless motion with no electron-impact ionization. One-dimensional PIC/MCC calculations show that emitters such as carbon nanotubes placed sparsely on the cathode, combined with field ionization nanorods at the anode, can indeed ensure steady-state electron densities of up to 1012 cm-3 at gas pressure lower than 10 mTorr with only 50-100 Volts applied cross a 40-50 μm gap.

Ionization rate from the electron precipitation during August 2011 storm

NASA Astrophysics Data System (ADS)

Huang, Y.; Huang, C. Y.; Su, Y.

2013-12-01

We apply a parameterization by Fang et al. [2010] (Fang2010) to the complex energy spectra measured by DMSP F16 satellites to calculate the ionization rate from electron precipitation during a moderate storm on August 6th, 2011. The DMSP electron flux measurements show that there is clear enhancement of electron fluxes in the polar cap. The mean energy in the polar cap is mostly above 100 eV, while the mean energy of auroral zone is above 1 keV. F16 also captures a strong Poynting flux enhancement in the polar cap. The electron impact ionization rates using thermospheric densities and temperatures from NRLMSISE-00, TIE-GCM and GITM show clear enhancement at F-region altitudes in the polar cap region due to the low-energy electrons precipitated. Using the default empirical formulations of electron impact ionization in GCMs, TIE-GCM and GITM do not capture the F-region ionization shown in the results of Fang2010 parameterization. Fang, X, C. E. Randall, D. Lummerzheim, W. Wang, G. Lu, S. C. Solomon, and R. A. Frahm (2010), Geophys. Res. Lett., 37, L22106, doi:10.1029/2010GL045406.

Atmospheric Gaseous Plasma with Large Dimensions

NASA Astrophysics Data System (ADS)

Korenev, Sergey

2012-10-01

The forming of atmospheric plasma with large dimensions using electrical discharge typically uses the Dielectric Barrier Discharge (DBD). The study of atmospheric DBD was shown some problems related to homogeneous volume plasma. The volume of this plasma determines by cross section and gas gap between electrode and dielectric. The using of electron beam for volume ionization of air molecules by CW relativistic electron beams was shown the high efficiency of this process [1, 2]. The main advantage of this approach consists in the ionization of gas molecules by electrons in longitudinal direction determines by their kinetic energy. A novel method for forming of atmospheric homogeneous plasma with large volume dimensions using ionization of gas molecules by pulsed non-relativistic electron beams is presented in the paper. The results of computer modeling for delivered doses of electron beams in gases and ionization are discussed. The structure of experimental bench with plasma diagnostics is considered. The preliminary results of forming atmospheric plasma with ionization gas molecules by pulsed nanosecond non-relativistic electron beam are given. The analysis of potential applications for atmospheric volume plasma is presented. Reference: [1] S. Korenev. ``The ionization of air by scanning relativistic high power CW electron beam,'' 2002 IEEE International Conference on Plasma Science. May 2002, Alberta, Canada. [2] S. Korenev, I. Korenev. ``The propagation of high power CW scanning electron beam in air.'' BEAMS 2002: 14th International Conference on High-Power Particle Beams, Albuquerque, New Mexico (USA), June 2002, AIP Conference Proceedings Vol. 650(1), pp. 373-376. December 17.

Proportional counter device for detecting electronegative species in an air sample

DOEpatents

Allman, Steve L.; Chen, Fang C.; Chen, Chung-Hsuan

1994-01-01

Apparatus for detecting an electronegative species comprises an analysis chamber, an inlet communicating with the analysis chamber for admitting a sample containing the electronegative species and an ionizable component, a radioactive source within the analysis chamber for emitting radioactive energy for ionizing a component of the sample, a proportional electron detector within the analysis chamber for detecting electrons emitted from the ionized component, and a circuit for measuring the electrons and determining the presence of the electronegative species by detecting a reduction in the number of available electrons due to capture of electrons by the electronegative species.

Proportional counter device for detecting electronegative species in an air sample

DOEpatents

Allman, S.L.; Chen, F.C.; Chen, C.H.

1994-03-08

Apparatus for detecting an electronegative species comprises an analysis chamber, an inlet communicating with the analysis chamber for admitting a sample containing the electronegative species and an ionizable component, a radioactive source within the analysis chamber for emitting radioactive energy for ionizing a component of the sample, a proportional electron detector within the analysis chamber for detecting electrons emitted from the ionized component, and a circuit for measuring the electrons and determining the presence of the electronegative species by detecting a reduction in the number of available electrons due to capture of electrons by the electronegative species. 2 figures.

Fundamental mechanisms of laser damage of dielectric crystals by ultrashort pulse: ionization dynamics for the Keldysh model

NASA Astrophysics Data System (ADS)

Gruzdev, Vitaly

2014-12-01

Laser-induced ionization is a major process that initiates and drives the initial stages of laser-induced damage (LID) of high-quality transparent solids. The ionization and its contribution to LID are characterized in terms of the time-dependent ionization rate and conduction-band electron density. Considering femtosecond pulses of various durations (from 35 to 706 fs) and variable peak irradiances (from 0.01 to 60 TW/cm2), we use a single-rate equation to simulate time variations of conduction-band electron density and rates of the photoionization and impact ionization. The photoionization rate is evaluated with the Keldysh equation. At low irradiance, the electron density and total ionization rate demonstrate power scaling characteristic of multiphoton ionization. With the increase of irradiance, there is observed a saturation of the photoionization rate due to photoionization suppression by the Keldysh-type singularity during the increase in the number of simultaneously absorbed photons by 1. A striking result is that the saturation is followed by a stepwise transition from the ionization regime which is completely dominated by the photoionization to a regime totally dominated by the impact ionization. The transition results in the increase of the electron density by a few orders of magnitude induced by a variation of peak laser irradiance by about 15% to 20%. The physical effects that are involved are discussed.

Electron Impact Ionization and Dissociative Ionization of C2H2

NASA Technical Reports Server (NTRS)

Srivastava, S. K.

1995-01-01

By utilizing a crossed electron beam collision geometry, a combination of time-of-flight (TOF) and quadrupole mass spectrometers, and the relative flow technique1 normalized values of cross sections and appearance energies (AP) were obtained for the formation of singly and multiply ionized species resulting from the ionization and dissociation of C2H2. Details ont he apparatus and technique have been published previously.2,3.

Circular dichroism in photo-single-ionization of unoriented atoms.

PubMed

Feagin, James M

2002-01-28

We predict circular dichroism in photo-single-ionization angular distributions from spherically symmetric atomic states if the ionized electron is detected using two-slit interferometry. We demonstrate that the resulting electron interference pattern captures phase information on quadrupole corrections to the photoionization amplitude lost in conventional angular distributions.

Nanosecond laser-cluster interactions at 109-1012 W/cm 2

NASA Astrophysics Data System (ADS)

Singh, Rohtash; Tripathi, V. K.; Vatsa, R. K.; Das, D.

2017-08-01

An analytical model and a numerical code are developed to study the evolution of multiple charge states of ions by irradiating clusters of atoms of a high atomic number (e.g., Xe) by 1.06 μm and 0.53 μm nanosecond laser pulses of an intensity in the range of 109-1012 W/cm 2 . The laser turns clusters into plasma nanoballs. Initially, the momentum randomizing collisions of electrons are with neutrals, but soon these are taken over by collisions with ions. The ionization of an ion to the next higher state of ionization is taken to be caused by an energetic free electron impact, and the rates of impact ionization are suitably modelled by having an inverse exponential dependence of ionizing collision frequency on the ratio of ionization potential to electron temperature. Cluster expansion led adiabatic cooling is a major limiting mechanism on electron temperature. In the intensity range considered, ionization states up to 7 are expected with nanosecond pulses. Another possible mechanism, filamentation of the laser, has also been considered to account for the observation of higher charged states. However, filamentation is seen to be insufficient to cause substantial local enhancement in the intensity to affect electron heating rates.

Angle-dependent strong-field molecular ionization rates with tuned range-separated time-dependent density functional theory.

PubMed

Sissay, Adonay; Abanador, Paul; Mauger, François; Gaarde, Mette; Schafer, Kenneth J; Lopata, Kenneth

2016-09-07

Strong-field ionization and the resulting electronic dynamics are important for a range of processes such as high harmonic generation, photodamage, charge resonance enhanced ionization, and ionization-triggered charge migration. Modeling ionization dynamics in molecular systems from first-principles can be challenging due to the large spatial extent of the wavefunction which stresses the accuracy of basis sets, and the intense fields which require non-perturbative time-dependent electronic structure methods. In this paper, we develop a time-dependent density functional theory approach which uses a Gaussian-type orbital (GTO) basis set to capture strong-field ionization rates and dynamics in atoms and small molecules. This involves propagating the electronic density matrix in time with a time-dependent laser potential and a spatial non-Hermitian complex absorbing potential which is projected onto an atom-centered basis set to remove ionized charge from the simulation. For the density functional theory (DFT) functional we use a tuned range-separated functional LC-PBE*, which has the correct asymptotic 1/r form of the potential and a reduced delocalization error compared to traditional DFT functionals. Ionization rates are computed for hydrogen, molecular nitrogen, and iodoacetylene under various field frequencies, intensities, and polarizations (angle-dependent ionization), and the results are shown to quantitatively agree with time-dependent Schrödinger equation and strong-field approximation calculations. This tuned DFT with GTO method opens the door to predictive all-electron time-dependent density functional theory simulations of ionization and ionization-triggered dynamics in molecular systems using tuned range-separated hybrid functionals.

Angle-dependent strong-field molecular ionization rates with tuned range-separated time-dependent density functional theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sissay, Adonay; Abanador, Paul; Mauger, François

2016-09-07

Strong-field ionization and the resulting electronic dynamics are important for a range of processes such as high harmonic generation, photodamage, charge resonance enhanced ionization, and ionization-triggered charge migration. Modeling ionization dynamics in molecular systems from first-principles can be challenging due to the large spatial extent of the wavefunction which stresses the accuracy of basis sets, and the intense fields which require non-perturbative time-dependent electronic structure methods. In this paper, we develop a time-dependent density functional theory approach which uses a Gaussian-type orbital (GTO) basis set to capture strong-field ionization rates and dynamics in atoms and small molecules. This involves propagatingmore » the electronic density matrix in time with a time-dependent laser potential and a spatial non-Hermitian complex absorbing potential which is projected onto an atom-centered basis set to remove ionized charge from the simulation. For the density functional theory (DFT) functional we use a tuned range-separated functional LC-PBE*, which has the correct asymptotic 1/r form of the potential and a reduced delocalization error compared to traditional DFT functionals. Ionization rates are computed for hydrogen, molecular nitrogen, and iodoacetylene under various field frequencies, intensities, and polarizations (angle-dependent ionization), and the results are shown to quantitatively agree with time-dependent Schrödinger equation and strong-field approximation calculations. This tuned DFT with GTO method opens the door to predictive all-electron time-dependent density functional theory simulations of ionization and ionization-triggered dynamics in molecular systems using tuned range-separated hybrid functionals.« less

How the laser-induced ionization of transparent solids can be suppressed

NASA Astrophysics Data System (ADS)

Gruzdev, Vitaly

2013-12-01

A capability to suppress laser-induced ionization of dielectric crystals in controlled and predictable way can potentially result in substantial improvement of laser damage threshold of optical materials. The traditional models that employ the Keldysh formula do not predict any suppression of the ionization because of the oversimplified description of electronic energy bands underlying the Keldysh formula. To fix this gap, we performed numerical simulations of time evolution of conduction-band electron density for a realistic cosine model of electronic bands characteristic of wide-band-gap cubic crystals. The simulations include contributions from the photo-ionization (evaluated by the Keldysh formula and by the formula for the cosine band of volume-centered cubic crystals) and from the avalanche ionization (evaluated by the Drude model). Maximum conduction-band electron density is evaluated from a single rate equation as a function of peak intensity of femtosecond laser pulses for alkali halide crystals. Results obtained for high-intensity femtosecond laser pulses demonstrate that the ionization can be suppressed by proper choice of laser parameters. In case of the Keldysh formula, the peak electron density exhibits saturation followed by gradual increase. For the cosine band, the electron density increases with irradiance within the low-intensity multiphoton regime and switches to decrease with intensity approaching threshold of the strong singularity of the ionization rate characteristic of the cosine band. Those trends are explained with specific modifications of band structure by electric field of laser pulses.

Calculation of total and ionization cross sections for electron scattering by primary benzene compounds

NASA Astrophysics Data System (ADS)

Singh, Suvam; Naghma, Rahla; Kaur, Jaspreet; Antony, Bobby

2016-07-01

The total and ionization cross sections for electron scattering by benzene, halobenzenes, toluene, aniline, and phenol are reported over a wide energy domain. The multi-scattering centre spherical complex optical potential method has been employed to find the total elastic and inelastic cross sections. The total ionization cross section is estimated from total inelastic cross section using the complex scattering potential-ionization contribution method. In the present article, the first theoretical calculations for electron impact total and ionization cross section have been performed for most of the targets having numerous practical applications. A reasonable agreement is obtained compared to existing experimental observations for all the targets reported here, especially for the total cross section.

Cross sections for direct and dissociative ionization of NH3 and CS2 by electron impact

NASA Technical Reports Server (NTRS)

Rao, M. V. V. S.; Srivastava, S. K.

1991-01-01

A crossed electron beam-molecular beam collision geometry is used to measure cross sections for the production of positive ions by electron impact on NH3 and CS2. Ionization cross-section data for NH3 and the values of various cross sections are presented, as well as ionization efficiency curves for CS2. Considerable differences are found between the various results on NH3. The present values are close to the data of Djuric et al. (1981). The semiempirical calculations of Hare and Meath (1987) differ considerably in the absolute values of cross sections. Discrepancies were observed in comparisons of cross sections of other fragment ions resulting from the ionization and dissociate ionization of NH3.

Dynamics of bulk electron heating and ionization in solid density plasmas driven by ultra-short relativistic laser pulses

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huang, L. G., E-mail: lingen.huang@hzdr.de; Kluge, T.; Cowan, T. E.

The dynamics of bulk heating and ionization is investigated both in simulations and theory, which determines the crucial plasma parameters such as plasma temperature and density in ultra-short relativistic laser-solid target interactions. During laser-plasma interactions, the solid density plasma absorbs a fraction of laser energy and converts it into kinetic energy of electrons. A portion of the electrons with relativistic kinetic energy goes through the solid density plasma and transfers energy into the bulk electrons, which results in bulk electron heating. The bulk electron heating is finally translated into the processes of bulk collisional ionization inside the solid target. Amore » simple model based on the Ohmic heating mechanism indicates that the local and temporal profile of bulk return current is essential to determine the temporal evolution of bulk electron temperature. A series of particle-in-cell simulations showing the local heating model is robust in the cases of target with a preplasma and without a preplasma. Predicting the bulk electron heating is then benefit for understanding the collisional ionization dynamics inside the solid targets. The connection of the heating and ionization inside the solid target is further studied using Thomas-Fermi model.« less

An experimental investigation of hollow cathode-based plasma contactors. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Williams, John D.

1991-01-01

Experimental results are presented which describe operation of the plasma environment associated with a hollow cathod-based plasma contactor collecting electrons from or emitting them to an ambient, low density Maxwellian plasma. A one-dimensional, phenomenological model of the near-field electron collection process, which was formulated from experimental observations, is presented. It considers three regions, namely, a plasma cloud adjacent to the contactor, an ambient plasma from which electrons are collected, and a double layer region that develops between the contactor plasma cloud and the ambient plasma regions. Results of the electron emission experiments are also presented. An important observation is made using a retarding potential analyzer (RPA) which shows that high energy ions generally stream from a contactor along with the electrons being emitted. A mechanism for this phenomenon is presented and it involves a high rate of ionization induced between electrons and atoms flowing together from the hollow cathode orifice. This can result in the development of a region of high positive potential. Langmuir and RPA probe data suggest that both electrons and ions expand spherically from this hill region. In addition to experimental observations, a one-dimensional model which describes the electron emission process and predicts the phenomena just mentioned is presented and shown to agree qualitatively with these observations.

Study of Electron Ionization and Fragmentation of Non-hydrated and Hydrated Tetrahydrofuran Clusters

NASA Astrophysics Data System (ADS)

Neustetter, Michael; Mahmoodi-Darian, Masoomeh; Denifl, Stephan

2017-05-01

Mass spectroscopic investigations on tetrahydrofuran (THF, C4H8O), a common model molecule of the DNA-backbone, have been carried out. We irradiated isolated THF and (hydrated) THF clusters with low energy electrons (electron energy 70 eV) in order to study electron ionization and ionic fragmentation. For elucidation of fragmentation pathways, deuterated TDF (C4D8O) was investigated as well. One major observation is that the cluster environment shows overall a protective behavior on THF. However, also new fragmentation channels open in the cluster. In this context, we were able to solve a discrepancy in the literature about the fragment ion peak at mass 55 u in the electron ionization mass spectrum of THF. We ascribe this ion yield to the fragmentation of ionized THF clusters.

The absorption of energetic electrons by molecular hydrogen gas

NASA Technical Reports Server (NTRS)

Cravens, T. E.; Victor, G. A.; Dalgarno, A.

1975-01-01

The processes by which energetic electrons lose energy in a weakly ionized gas of molecular hydrogen are analyzed, and calculations are carried out taking into account the discrete nature of the excitation processes. The excitation, ionization, and heating efficiencies are computed for electrons with energies up to 100 eV absorbed in a gas with fractional ionizations up to 0.01, and the mean energy per pair of neutral hydrogen atoms is calculated.

Electron and fluorescence spectra of a water molecule irradiated by an x-ray free-electron laser pulse

NASA Astrophysics Data System (ADS)

Schäfer, Julia M.; Inhester, Ludger; Son, Sang-Kil; Fink, Reinhold F.; Santra, Robin

2018-05-01

With the highly intense x-ray light generated by x-ray free-electron lasers (XFELs), molecular samples can be ionized many times in a single pulse. Here we report on a computational study of molecular spectroscopy at the high x-ray intensity provided by XFELs. Calculated photoelectron, Auger electron, and x-ray fluorescence spectra are presented for a single water molecule that reaches many electronic hole configurations through repeated ionization steps. The rich details shown in the spectra depend on the x-ray pulse parameters in a nonintuitive way. We discuss how the observed trends can be explained by the competition of microscopic electronic transition processes. A detailed comparison between spectra calculated within the independent-atom model and within the molecular-orbital framework highlights the chemical sensitivity of the spectral lines of multiple-hole configurations. Our results demonstrate how x-ray multiphoton ionization-related effects such as charge-rearrangement-enhanced x-ray ionization of molecules and frustrated absorption manifest themselves in the electron and fluorescence spectra.

Eu 2+ –Eu 3+ valence transition in double, Eu-, and Na-doped PbSe from transport, magnetic, and electronic structure studies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wiendlocha, Bartlomiej; Kim, SunPhil; Lee, Yeseul

The Eu atoms in Pb 1-xEu xSe have long been assumed to be divalent. We show that p-type doping of this magnetic semiconductor alloy with Na can modify the effective Eu valence: a mixed, Eu 2+–Eu 3+ state appears in Pb 1-x-yEu xNa ySe at particular values of y. Magnetization, carrier concentration, resistivity, and thermopower of Pb 1-x-yEu xNa ySe are reported for a number of samples with different x and y. A pronounced increase in thermopower at a given carrier concentration was identified and attributed to the presence of enhanced ionized impurity scattering. A strong decrease in the holemore » concentration is observed in Pb1-yNaySe when Eu is added to the system, which we attribute to a Eu 2+–Eu 3+ self-ionization process. This is evidenced by magnetization measurements, which reveal a significant reduction of the magnetic moment of Pb 1-xEu xSe upon alloying with Na. Further, a deviation of magnetization from a purely paramagnetic state, described by a Brillouin function, identifies antiferromagnetic interactions between the nearest-neighbor Eu atoms: a value of J ex/k B = -0.35 K was found for the exchange coupling parameter. The conclusion of a Eu 2+–Eu 3+ self-ionization process being in effect is supported further by the electronic structure calculations, which show that an instability of the 4f 7 configuration of the Eu 2+ ion appears with Na doping. In conclusion, schematically, it was found that the Eu 4f levels form states near enough to the Fermi energy that hole doping can lower the Fermi energy and trigger a reconfiguration of a 4f electronic shell.« less

Fully differential cross sections for the single ionization of helium by fast ions: Classical model calculations

NASA Astrophysics Data System (ADS)

Sarkadi, L.

2018-04-01

Fully differential cross sections (FDCSs) have been calculated for the single ionization of helium by 1- and 3-MeV proton and 100-MeV/u C6 + ion impact using the classical trajectory Monte Carlo (CTMC) method in the nonrelativistic, three-body approximation. The calculations were made employing a Wigner-type model in which the quantum-mechanical position distribution of the electron is approximated by a weighted integral of the microcanonical distribution over a range of the binding energy of the electron. In the scattering plane, the model satisfactorily reproduces the observed shape of the binary peak. In the region of the peak the calculated FDCSs agree well with the results of continuum-distorted-wave calculations for all the investigated collisions. For 1-MeV proton impact the experimentally observed shift of the binary peak with respect to the first Born approximation is compared with the shifts obtained by different higher-order quantum-mechanical theories and the present CTMC method. The best result was achieved by CTMC, but still a large part of the shift remained unexplained. Furthermore, it was found that the classical theory failed to reproduce the shape of the recoil peak observed in the experiments, it predicts a much narrower peak. This indicates that the formation of the recoil peak is dominated by quantum-mechanical effects. For 100-MeV/u C6 + ion impact the present CTMC calculations confirmed the existence of the "double-peak" structure of the angular distribution of the electron in the plane perpendicular to the momentum transfer, in accordance with the observation, the prediction of an incoherent semiclassical model, and previous CTMC results. This finding together with wave-packet calculations suggests that the "C6 + puzzle" may be solved by considering the loss of the projectile coherence. Experiments to be conducted using ion beams of anisotropic coherence are proposed for a more differential investigation of the ionization dynamics.

Eu 2+ –Eu 3+ valence transition in double, Eu-, and Na-doped PbSe from transport, magnetic, and electronic structure studies

DOE PAGES

Wiendlocha, Bartlomiej; Kim, SunPhil; Lee, Yeseul; ...

2017-03-27

The Eu atoms in Pb 1-xEu xSe have long been assumed to be divalent. We show that p-type doping of this magnetic semiconductor alloy with Na can modify the effective Eu valence: a mixed, Eu 2+–Eu 3+ state appears in Pb 1-x-yEu xNa ySe at particular values of y. Magnetization, carrier concentration, resistivity, and thermopower of Pb 1-x-yEu xNa ySe are reported for a number of samples with different x and y. A pronounced increase in thermopower at a given carrier concentration was identified and attributed to the presence of enhanced ionized impurity scattering. A strong decrease in the holemore » concentration is observed in Pb1-yNaySe when Eu is added to the system, which we attribute to a Eu 2+–Eu 3+ self-ionization process. This is evidenced by magnetization measurements, which reveal a significant reduction of the magnetic moment of Pb 1-xEu xSe upon alloying with Na. Further, a deviation of magnetization from a purely paramagnetic state, described by a Brillouin function, identifies antiferromagnetic interactions between the nearest-neighbor Eu atoms: a value of J ex/k B = -0.35 K was found for the exchange coupling parameter. The conclusion of a Eu 2+–Eu 3+ self-ionization process being in effect is supported further by the electronic structure calculations, which show that an instability of the 4f 7 configuration of the Eu 2+ ion appears with Na doping. In conclusion, schematically, it was found that the Eu 4f levels form states near enough to the Fermi energy that hole doping can lower the Fermi energy and trigger a reconfiguration of a 4f electronic shell.« less

Ionizing Radiation Changes the Electronic Properties of Melanin and Enhances the Growth of Melanized Fungi

PubMed Central

Dadachova, Ekaterina; Bryan, Ruth A.; Huang, Xianchun; Moadel, Tiffany; Schweitzer, Andrew D.; Aisen, Philip; Nosanchuk, Joshua D.; Casadevall, Arturo

2007-01-01

Background Melanin pigments are ubiquitous in nature. Melanized microorganisms are often the dominating species in certain extreme environments, such as soils contaminated with radionuclides, suggesting that the presence of melanin is beneficial in their life cycle. We hypothesized that ionizing radiation could change the electronic properties of melanin and might enhance the growth of melanized microorganisms. Methodology/Principal Findings Ionizing irradiation changed the electron spin resonance (ESR) signal of melanin, consistent with changes in electronic structure. Irradiated melanin manifested a 4-fold increase in its capacity to reduce NADH relative to non-irradiated melanin. HPLC analysis of melanin from fungi grown on different substrates revealed chemical complexity, dependence of melanin composition on the growth substrate and possible influence of melanin composition on its interaction with ionizing radiation. XTT/MTT assays showed increased metabolic activity of melanized C. neoformans cells relative to non-melanized cells, and exposure to ionizing radiation enhanced the electron-transfer properties of melanin in melanized cells. Melanized Wangiella dermatitidis and Cryptococcus neoformans cells exposed to ionizing radiation approximately 500 times higher than background grew significantly faster as indicated by higher CFUs, more dry weight biomass and 3-fold greater incorporation of 14C-acetate than non-irradiated melanized cells or irradiated albino mutants. In addition, radiation enhanced the growth of melanized Cladosporium sphaerospermum cells under limited nutrients conditions. Conclusions/Significance Exposure of melanin to ionizing radiation, and possibly other forms of electromagnetic radiation, changes its electronic properties. Melanized fungal cells manifested increased growth relative to non-melanized cells after exposure to ionizing radiation, raising intriguing questions about a potential role for melanin in energy capture and utilization. PMID:17520016

Physical processes associated with current collection by plasma contactors

NASA Technical Reports Server (NTRS)

Katz, Ira; Davis, Victoria A.

1990-01-01

Recent flight data confirms laboratory observations that the release of neutral gas increases plasma sheath currents. Plasma contactors are devices which release a partially ionized gas in order to enhance the current flow between a spacecraft and the space plasma. Ionization of the expellant gas and the formation of a double layer between the anode plasma and the space plasma are the dominant physical processes. A theory is presented of the interaction between the contactor plasma and the background plasma. The conditions for formation of a double layer between the two plasmas are derived. Double layer formation is shown to be a consequence of the nonlinear response of the plasmas to changes in potential. Numerical calculations based upon this model are compared with laboratory measurements of current collection by hollow cathode-based plasma contactors.

Diode-laser-based RIMS measurements of strontium-90

NASA Astrophysics Data System (ADS)

Bushaw, B. A.; Cannon, B. D.

1998-12-01

Double- and triple-resonance excitation schemes for the ionization of strontium are presented. Use of single-mode diode lasers for the resonance excitations provides a high degree of optical isotopic selectivity: with double-resonance, selectivity of >104 for 90Sr against the stable Sr isotopes has been demonstrated. Measurement of lineshapes and stable isotope shifts in the triple-resonance process indicate that optical selectivity should increase to ˜109. When combined with mass spectrometer selectivity this is sufficient for measurement of 90Sr at background environmental levels. Additionally, autoionizing resonances have been investigated for improving ionization efficiency with lower power lasers.

Development Status of the Helicon Hall Thruster

DTIC Science & Technology

2009-09-15

Hall thruster , the Helicon Hall Thruster , is presented. The Helicon Hall Thruster combines the efficient ionization mechanism of a helicon source with the favorable plasma acceleration properties of a Hall thruster . Conventional Hall thrusters rely on direct current electron bombardment to ionize the flow in order to generate thrust. Electron bombardment typically results in an ionization cost that can be on the order of ten times the ionization potential, leading to reduced efficiency, particularly at low

Electron impact ionization of plasma important SiClX (X = 1-4) molecules: theoretical cross sections

NASA Astrophysics Data System (ADS)

Kothari, Harshit N.; Pandya, Siddharth H.; Joshipura, K. N.

2011-06-01

Electron impact ionization of SiClX (X = 1-4) molecules is less studied but an important process for understanding and modelling the interactions of silicon-chlorine plasmas with different materials. The SiCl3 radical is a major chloro-silicon species involved in the CVD (chemical vapour deposition) of silicon films from SiCl4/Ar microwave plasmas. We report in this paper the total ionization cross sections for electron collisions on these silicon compounds at incident energies from the ionization threshold to 2000 eV. We employ the 'complex scattering potential-ionization contribution' method and identify the relative importance of various channels, with ionization included in the cumulative inelastic scattering. New results are also presented on these exotic molecular targets. This work is significant in view of the paucity of theoretical studies on the radicals SiClX (X = 1-3) and on SiCl4.

Laser separation of lithium isotopes by double resonance enhanced multiphoton ionization of Li/sub 2/

DOE Office of Scientific and Technical Information (OSTI.GOV)

Balz, J.G.; Bernheim, R.A.; Gold, L.P.

1987-01-01

Multiphoton ionization spectra of /sup 7/Li/sub 2/, /sup 6/Li/sub 2/, and /sup 7/Li/sup 6/Li vapors have been measured in the 570--650 nm region using a single, low resolution, multimode cw dye laser. A number of wavelengths provide selective multiphoton ionization of one isotopic species demonstrating the possibility of efficient laser-driven isotopic separation in lithium in this wavelength region.

Pulsed, high-current, in-line reversal electron attachment detector

NASA Technical Reports Server (NTRS)

Bernius, Mark T.; Chutjian, Ara

1989-01-01

A new, pulsed, high-current, in-line reversal electron attachment ionizer/detector is described. The ionizer is capable of delivering a beam of electrons into an electrostatic mirror field to form a planar wall of electrons having zero kinetic energy. Electron attachment to a molecular target at the reversal point produces either parent or fragment negative ions through a zero-energy (s-wave) state. The atomic or molecular ion is pulsed out of the attachment region approximately 2 microsec after the electrons are pulsed off, and focused onto the entrance plane of a quadrupole mass analyzer. The sensitivity of the apparatus is preliminarily assessed, and its higher-energy behavior with regard to molecular attachment and ionization is described.

Revealing the Sub-Barrier Phase using a Spatiotemporal Interferometer with Orthogonal Two-Color Laser Fields of Comparable Intensity

NASA Astrophysics Data System (ADS)

Han, Meng; Ge, Peipei; Shao, Yun; Liu, Ming-Ming; Deng, Yongkai; Wu, Chengyin; Gong, Qihuang; Liu, Yunquan

2017-08-01

We measure photoelectron momentum distributions of Ar atoms in orthogonally polarized two-color laser fields with comparable intensities. The synthesized laser field is used to manipulate the oscillating tunneling barrier and the subsequent motion of electrons onto two spatial dimensions. The subcycle structures associated with the temporal double-slit interference are spatially separated and enhanced. We use such a spatiotemporal interferometer to reveal sub-barrier phase of strong-field tunneling ionization. This study shows that the tunneling process transfers the initial phase onto momentum distribution. Our work has the implication that the sub-barrier phase plays an indispensable role in photoelectron interference processes.

A novel double-focusing time-of-flight mass spectrometer for absolute recoil ion cross sections measurements

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sigaud, L., E-mail: lsigaud@if.uff.br; Jesus, V. L. B. de; Ferreira, Natalia

In this work, the inclusion of an Einzel-like lens inside the time-of-flight drift tube of a standard mass spectrometer coupled to a gas cell—to study ionization of atoms and molecules by electron impact—is described. Both this lens and a conical collimator are responsible for further focalization of the ions and charged molecular fragments inside the spectrometer, allowing a much better resolution at the time-of-flight spectra, leading to a separation of a single mass-to-charge unit up to 100 a.m.u. The procedure to obtain the overall absolute efficiency of the spectrometer and micro-channel plate detector is also discussed.

A novel double-focusing time-of-flight mass spectrometer for absolute recoil ion cross sections measurements.

PubMed

Sigaud, L; de Jesus, V L B; Ferreira, Natalia; Montenegro, E C

2016-08-01

In this work, the inclusion of an Einzel-like lens inside the time-of-flight drift tube of a standard mass spectrometer coupled to a gas cell-to study ionization of atoms and molecules by electron impact-is described. Both this lens and a conical collimator are responsible for further focalization of the ions and charged molecular fragments inside the spectrometer, allowing a much better resolution at the time-of-flight spectra, leading to a separation of a single mass-to-charge unit up to 100 a.m.u. The procedure to obtain the overall absolute efficiency of the spectrometer and micro-channel plate detector is also discussed.

DNA Damage by Ionizing Radiation: Tandem Double Lesions by Charged Particles

NASA Technical Reports Server (NTRS)

Huo, Winifred M.; Chaban, Galina M.; Wang, Dunyou; Dateo, Christopher E.

2005-01-01

Oxidative damages by ionizing radiation are the source of radiation-induced carcinogenesis, damage to the central nervous system, lowering of the immune response, as well as other radiation-induced damages to human health. Monte Carlo track simulations and kinetic modeling of radiation damages to the DNA employ available molecular and cellular data to simulate the biological effect of high and low LET radiation io the DNA. While the simulations predict single and double strand breaks and base damages, so far all complex lesions are the result of stochastic coincidence from independent processes. Tandem double lesions have not yet been taken into account. Unlike the standard double lesions that are produced by two separate attacks by charged particles or radicals, tandem double lesions are produced by one single attack. The standard double lesions dominate at the high dosage regime. On the other hand, tandem double lesions do not depend on stochastic coincidences and become important at the low dosage regime of particular interest to NASA. Tandem double lesions by hydroxyl radical attack of guanine in isolated DNA have been reported at a dosage of radiation as low as 10 Gy. The formation of two tandem base lesions was found to be linear with the applied doses, a characteristic of tandem lesions. However, tandem double lesions from attack by a charged particle have not been reported.

Electron Impact Excitation-Ionization of Molecules

NASA Astrophysics Data System (ADS)

Ali, Esam Abobakr A.

In the last few decades, the study of atomic collisions by electron-impact has made significant advances. The most difficult case to study is electron impact ionization of molecules for which many approximations have to be made and the validity of these approximations can only be checked by comparing with experiment. In this thesis, I have examined the Molecular three-body distorted wave (M3DW) or Molecular four-body distorted wave (M4DW) approximations for electron-impact ionization. These models use a fully quantum mechanical approach where all particles are treated quantum mechanically and the post collision interaction (PCI) is treated to all orders of perturbation. These electron impact ionization collisions play central roles in the physics and chemistry of upper atmosphere, biofuel, the operation of discharges and lasers, radiation induced damage in biological material like damage to DNA by secondary electrons, and plasma etching processes. For the M3DW model, I will present results for electron impact single ionization of small molecules such as Water, Ethane, and Carbon Dioxide and the much larger molecules Tetrahydrofuran, phenol, furfural, 1-4 Benzoquinone. I will also present results for the four-body problem in which there are two target electrons involved in the collision. M4DW results will be presented for dissociative excitation-ionization of orientated D2. I will show that M4DW calculations using a variational wave function for the ground state that included s- and p- orbital states give better agreement to the experimental measurements than a ground state approximated as a product of two 1s-type Dyson orbitals.

Transition-matrix theory for two-photon ionization of rare-gas atoms and isoelectronic ions with application to argon

NASA Astrophysics Data System (ADS)

Starace, Anthony F.; Jiang, Tsin-Fu

1987-08-01

A transition-matrix theory for two-photon ionization processes in rare-gas atoms or isoelectronic ions is presented. Uncoupled ordinary differential equations are obtained for the radial functions needed to calculate the two-photon transition amplitude. The implications of these equations are discussed in detail. In particular, the role of correlations involving virtually excited electron pairs, which are known to be essential to the description of single-photon processes, is examined for multiphoton ionization processes. Additionally, electron scattering interactions between two electron-hole pairs are introduced into our transition amplitude in the boson approximation since these have been found important in two-photon ionization of xenon by L'Huillier and Wendin [J. Phys. B 20, L37 (1987)]. Application of our theory is made to two-photon ionization of the 3p subshell of argon below the one-photon ionization threshold. Our results are compared to previous calculations of McGuire [Phys. Rev. A 24, 835 (1981)], of Moccia, Rahman, and Rizzo [J. Phys. B 16, 2737 (1983)], and of Pindzola and Kelly [Phys. Rev. A 11, 1543 (1975)]. Results are presented for both circularly and linearly polarized photons. Among our findings are, firstly, that the electron scattering interactions, which have not been included in previous calculations for argon, produce a substantial reduction in the two-photon single-ionization cross section below the one-photon ionization threshold, which is in agreement with findings of L'Huillier and Wendin for xenon. Secondly, we find that de-excitation of virtually excited electron pairs by absorption of a photon is important for describing the interaction of the atom with the photon field, as in the case of single-photon ionization processes, but that further excitation of virtually excited electron pairs by the photon field has completely negligible effects, indicating a major simplification of the theory for higher-order absorption processes.

Selective ion source

DOEpatents

Leung, K.N.

1996-05-14

A ion source is described wherein selected ions maybe extracted to the exclusion of unwanted ion species of higher ionization potential. Also described is a method of producing selected ions from a compound, such as P{sup +} from PH{sub 3}. The invention comprises a plasma chamber, an electron source, a means for introducing a gas to be ionized by electrons from the electron source, means for limiting electron energy from the electron source to a value between the ionization energy of the selected ion species and the greater ionization energy of an unwanted ion specie, and means for extracting the target ion specie from the plasma chamber. In one embodiment, the electrons are generated in a plasma cathode chamber immediately adjacent to the plasma chamber. A small extractor draws the electrons from the plasma cathode chamber into the relatively positive plasma chamber. The energy of the electrons extracted in this manner is easily controlled. The invention is particularly useful for doping silicon with P{sup +}, As{sup +}, and B{sup +} without the problematic presence of hydrogen, helium, water, or carbon oxide ions. Doped silicon is important for manufacture of semiconductors and semiconductor devices. 6 figs.

Selective ion source

DOEpatents

Leung, Ka-Ngo

1996-01-01

A ion source is described wherein selected ions maybe extracted to the exclusion of unwanted ion species of higher ionization potential. Also described is a method of producing selected ions from a compound, such as P.sup.+ from PH.sub.3. The invention comprises a plasma chamber, an electron source, a means for introducing a gas to be ionized by electrons from the electron source, means for limiting electron energy from the electron source to a value between the ionization energy of the selected ion species and the greater ionization energy of an unwanted ion specie, and means for extracting the target ion specie from the plasma chamber. In one embodiment, the electrons are generated in a plasma cathode chamber immediately adjacent to the plasma chamber. A small extractor draws the electrons from the plasma cathode chamber into the relatively positive plasma chamber. The energy of the electrons extracted in this manner is easily controlled. The invention is particularly useful for doping silicon with P.sup.+, AS.sup.+, and B.sup.+ without the problematic presence of hydrogen, helium, water, or carbon oxide ions. Doped silicon is important for manufacture of semiconductors and semiconductor devices.

Cascade Model of Ionization Multiplication of Electrons in Glow Discharge Plasma

NASA Astrophysics Data System (ADS)

Romanenko, V. A.; Solodky, S. A.; Kudryavtsev, A. A.; Suleymanov, I. A.

1996-10-01

For determination of EDF in non-uniform fields a Monte-Carlo simulation(Tran Ngoc An et al., J.Phys.D: Appl. Phys. 10, 2317 (1977))^,(J.P. Boeuf et al., Phys.D: Appl.Phys. 15, 2169 (1982)) is applied. As alternative multi-beam cascade model(H.B. Valentini, Contrib.Plasma Phys. 27, 331 (1987)) is offered. Our model eliminates defects of that model and enables to determine EDF of low pressure plasma in non-uniform fields. A cascade model (with EDF dividing in monoenergetic electron groups) for arbitrary electric potential profile was used. Modeling was carried out for electron forward scattering only, constant electron mean free path; ionization was considered only. The equation system was solved for the region with kinetic energies more than ionization energy. The boundary conditions (on ionization energy curve) take into account electron transitions from higher-lying level in the less than ionization energy region and secondary electron production. The problem solution in analytical functions was obtained. The insertion of additional processes does not make significant difficulties. EDF and electrokinetical parameters in helium from numerical calculations are well agreed with above-mentioned authors. Work was carried out under RFFI (project N 96-02-18417) support.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Catoire, F.; Staicu-Casagrande, E. M.; Lahmam-Bennani, A.

We describe new developments aimed to extend the capabilities and the sensitivity of the (e,2e)/(e,3e) multicoincidence spectrometer at Orsay University [Duguet et al., Rev. Sci. Instrum. 69, 3524 (1998)]. The spectrometer has been improved by the addition of a third multiangle detection channel for the fast ''scattered'' electron. The present system is unique in that it is the only system which combines three toroidal analyzers all equipped with position sensitive detectors, thus allowing the triple coincidence detection of the three electrons present in the final state of an electron impact double ionization process. The setup allows measurement of the angularmore » and energy distributions of the ejected electrons over almost the totality of the collision plane as well as that of the scattered electron over a large range of scattering angles in the forward direction. The resulting gain in sensitivity ({approx}25) has rendered feasible a whole class of experiments which could not be otherwise envisaged. The setup is described with a special emphasis on the new toroidal analyzer, data acquisition hardware, and data analysis procedures. The performances are illustrated by selected results of (e,2e) and (e,3e) experiments on the rare gases.« less

Electronic structure of the benzene dimer cation

NASA Astrophysics Data System (ADS)

Pieniazek, Piotr A.; Krylov, Anna I.; Bradforth, Stephen E.

2007-07-01

The benzene and benzene dimer cations are studied using the equation-of-motion coupled-cluster model with single and double substitutions for ionized systems. The ten lowest electronic states of the dimer at t-shaped, sandwich, and displaced sandwich configurations are described and cataloged based on the character of the constituent fragment molecular orbitals. The character of the states, bonding patterns, and important features of the electronic spectrum are explained using qualitative dimer molecular orbital linear combination of fragment molecular orbital framework. Relaxed ground state geometries are obtained for all isomers. Calculations reveal that the lowest energy structure of the cation has a displaced sandwich structure and a binding energy of 20kcal/mol, while the t-shaped isomer is 6kcal/mol higher. The calculated electronic spectra agree well with experimental gas phase action spectra and femtosecond transient absorption in liquid benzene. Both sandwich and t-shaped structures feature intense charge resonance bands, whose location is very sensitive to the interfragment distance. Change in the electronic state ordering was observed between σ and πu states, which correlate to the B˜ and C˜ bands of the monomer, suggesting a reassignment of the local excitation peaks in the gas phase experimental spectrum.

Measurements of the structure of an ionizing shock wave in a hydrogen-helium mixture

NASA Technical Reports Server (NTRS)

Leibowitz, L. P.

1972-01-01

Shock structure during ionization of a hydrogen-helium mixture was studied using hydrogen line and continuum emission measurements. A reaction scheme is proposed which includes hydrogen dissociation and a two-step excitation-ionization mechanism for hydrogen ionization by atom-atom and atom-electron collisions. Agreement was achieved between numerical calculations and measurements of emission intensity as a function of time for shock velocities from 13 to 20 km/sec in a 0.208 H2 - 0.792 He mixture. The electron temperature was found to be significantly different from the heavy particle temperature during much of the ionization process. Similar time histories for H beta and continuum emission indicate upper level populations of hydrogen in equilibrium with the electron concentration during the relaxation process.

Measurements of the structure of an ionizing shock wave in a hydrogen-helium mixture.

NASA Technical Reports Server (NTRS)

Leibowitz, L. P.

1973-01-01

Shock structure during ionization of a hydrogen-helium mixture has been followed using hydrogen line and continuum emission measurements. A reaction scheme is proposed which includes hydrogen dissociation and a two-step excitation-ionization mechanism for hydrogen ionization by atom-atom and atom-electron collisions. Agreement has been achieved between numerical calculations and measurements of emission intensity as a function of time for shock velocities from 13 to 20 km/sec in a 0.208 H2-0.792 He mixture. The electron temperature was found to be significantly different from the heavy particle temperature during much of the ionization process. Similar time histories for H beta and continuum emission indicate upper level populations of hydrogen in equilibrium with the electron concentration during the relaxation process.

Calculation on spectrum of direct DNA damage induced by low-energy electrons including dissociative electron attachment.

PubMed

Liu, Wei; Tan, Zhenyu; Zhang, Liming; Champion, Christophe

2017-03-01

In this work, direct DNA damage induced by low-energy electrons (sub-keV) is simulated using a Monte Carlo method. The characteristics of the present simulation are to consider the new mechanism of DNA damage due to dissociative electron attachment (DEA) and to allow determining damage to specific bases (i.e., adenine, thymine, guanine, or cytosine). The electron track structure in liquid water is generated, based on the dielectric response model for describing electron inelastic scattering and on a free-parameter theoretical model and the NIST database for calculating electron elastic scattering. Ionization cross sections of DNA bases are used to generate base radicals, and available DEA cross sections of DNA components are applied for determining DNA-strand breaks and base damage induced by sub-ionization electrons. The electron elastic scattering from DNA components is simulated using cross sections from different theoretical calculations. The resulting yields of various strand breaks and base damage in cellular environment are given. Especially, the contributions of sub-ionization electrons to various strand breaks and base damage are quantitatively presented, and the correlation between complex clustered DNA damage and the corresponding damaged bases is explored. This work shows that the contribution of sub-ionization electrons to strand breaks is substantial, up to about 40-70%, and this contribution is mainly focused on single-strand break. In addition, the base damage induced by sub-ionization electrons contributes to about 20-40% of the total base damage, and there is an evident correlation between single-strand break and damaged base pair A-T.

Clustered DNA damages induced in isolated DNA and in human cells by low doses of ionizing radiation

NASA Technical Reports Server (NTRS)

Sutherland, B. M.; Bennett, P. V.; Sidorkina, O.; Laval, J.; Lowenstein, D. I. (Principal Investigator)

2000-01-01

Clustered DNA damages-two or more closely spaced damages (strand breaks, abasic sites, or oxidized bases) on opposing strands-are suspects as critical lesions producing lethal and mutagenic effects of ionizing radiation. However, as a result of the lack of methods for measuring damage clusters induced by ionizing radiation in genomic DNA, neither the frequencies of their production by physiological doses of radiation, nor their repairability, nor their biological effects are known. On the basis of methods that we developed for quantitating damages in large DNAs, we have devised and validated a way of measuring ionizing radiation-induced clustered lesions in genomic DNA, including DNA from human cells. DNA is treated with an endonuclease that induces a single-strand cleavage at an oxidized base or abasic site. If there are two closely spaced damages on opposing strands, such cleavage will reduce the size of the DNA on a nondenaturing gel. We show that ionizing radiation does induce clustered DNA damages containing abasic sites, oxidized purines, or oxidized pyrimidines. Further, the frequency of each of these cluster classes is comparable to that of frank double-strand breaks; among all complex damages induced by ionizing radiation, double-strand breaks are only about 20%, with other clustered damage constituting some 80%. We also show that even low doses (0.1-1 Gy) of high linear energy transfer ionizing radiation induce clustered damages in human cells.

Simplified Numerical Description of SPT Operations

NASA Technical Reports Server (NTRS)

Manzella, David H.

1995-01-01

A simplified numerical model of the plasma discharge within the SPT-100 stationary plasma thruster was developed to aid in understanding thruster operation. A one dimensional description was used. Non-axial velocities were neglected except for the azimuthal electron velocity. A nominal operating condition of 4.5 mg/s of xenon anode flow was considered with 4.5 Amperes of discharge current, and a peak radial magnetic field strength of 130 Gauss. For these conditions, the calculated results indicated ionization fractions of 0.99 near the thruster exit with a potential drop across the discharge of approximately 250 Volts. Peak calculated electron temperatures were found to be sensitive to the choice of total ionization cross section for ionization of atomic xenon by electron bombardment and ranged from 51 eV to 60 eV. The calculated ionization fraction, potential drop, and electron number density agree favorably with previous experiments. Calculated electron temperatures are higher than previously measured.

A rocket-borne airglow photometer

NASA Technical Reports Server (NTRS)

Paarmann, L. D.; Smith, L. G.

1977-01-01

The design of a rocket-borne photometer to measure the airglow emission of ionized molecular nitrogen in the 391.4 nm band is presented. This airglow is a well known and often observed phenomenon of auroras, where the principal source of ionization is energetic electrons. It is believed that at some midlatitude locations energetic electrons are also a source of nighttime ionization in the E region of the ionosphere. If this is so, then significant levels of 391.4 nm airglow should be present. The intensity of this airglow will be measured in a rocket payload which also contains instrumentation to measured in a rocket payload which also contains instrumentation to measure energetic electron differential flux and the ambient electron density. An intercomparison of the 3 experiments in a nightime launch will allow a test of the importance of energetic electrons as a nighttime source of ionization in the upper E region.

Are the argon metastables important in high power impulse magnetron sputtering discharges?

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gudmundsson, J. T., E-mail: tumi@hi.is; Science Institute, University of Iceland, Dunhaga 3, IS-107 Reykjavik; Lundin, D.

2015-11-15

We use an ionization region model to explore the ionization processes in the high power impulse magnetron sputtering (HiPIMS) discharge in argon with a titanium target. In conventional dc magnetron sputtering (dcMS), stepwise ionization can be an important route for ionization of the argon gas. However, in the HiPIMS discharge stepwise ionization is found to be negligible during the breakdown phase of the HiPIMS pulse and becomes significant (but never dominating) only later in the pulse. For the sputtered species, Penning ionization can be a significant ionization mechanism in the dcMS discharges, while in the HiPIMS discharge Penning ionization ismore » always negligible as compared to electron impact ionization. The main reasons for these differences are a higher plasma density in the HiPIMS discharge, and a higher electron temperature. Furthermore, we explore the ionization fraction and the ionized flux fraction of the sputtered vapor and compare with recent experimental work.« less

Calculation of H2-He Flow with Nonequilibrium Ionization and Radiation: an Interim Report

NASA Technical Reports Server (NTRS)

Furudate, Michiko; Chang, Keun-Shik

2005-01-01

The nonequilibrium ionization process in hydrogen-helium mixture behind a strong shock wave is studied numerically using the detailed ionization rate model developed recently by Park which accounts for emission and absorption of Lyman lines. The study finds that, once the avalanche ionization is started, the Lyman line is self-absorbed. The intensity variation of the radiation at 5145 Angstroms found by Leibowitz in a shock tube experiment can be numerically reproduced by assuming that ionization behind the shock wave prior to the onset of avalanche ionization is 1.3%. Because 1.3% initial ionization is highly unlikely, Leibowitz s experimental data is deemed questionable. By varying the initial electron density value in the calculation, the calculated ionization equilibration time is shown to increase approximately as inverse square-root of the initial electron density value. The true ionization equilibration time is most likely much longer than the value found by Leibowitz.

Non-thermal near-infrared exposure photobiomodulates cellular responses to ionizing radiation in human full thickness skin models.

PubMed

König, Anke; Zöller, Nadja; Kippenberger, Stefan; Bernd, August; Kaufmann, Roland; Layer, Paul G; Heselich, Anja

2018-01-01

Ionizing and near-infrared radiation are both part of the therapeutic spectrum in cancer treatment. During cancer therapy ionizing radiation is typically used for non-invasive reduction of malignant tissue, while near-infrared photobiomodulation is utilized in palliative medical approaches, e.g. for pain reduction or impairment of wound healing. Furthermore, near-infrared is part of the solar wavelength spectrum. A combined exposure of these two irradiation qualities - either intentionally during medical treatment or unintentionally due to solar exposure - is therefore presumable for cancer patients. Several studies in different model organisms and cell cultures show a strong impact of near-infrared pretreatment on ionizing radiation-induced stress response. To investigate the risks of non-thermal near-infrared (NIR) pretreatment in patients, a human in vitro full thickness skin models (FTSM) was evaluated for radiation research. FTSM were pretreated with therapy-relevant doses of NIR followed by X-radiation, and then examined for DNA-double-strand break (DSB) repair, cell proliferation and apoptosis. Double-treated FTSM revealed a clear influence of NIR on X-radiation-induced stress responses in cells in their typical tissue environment. Furthermore, over a 24h time period, double-treated FTSM presented a significant persistence of DSBs, as compared to samples exclusively irradiated by X-rays. In addition, NIR pretreatment inhibited apoptosis induction of integrated fibroblasts, and counteracted the radiation-induced proliferation inhibition of basal keratinocytes. Our work suggests that cancer patients treated with X-rays should be prevented from uncontrolled NIR irradiation. On the other hand, controlled double-treatment could provide an alternative therapy approach, exposing the patient to less radiation. Copyright © 2017. Published by Elsevier B.V.

Identifying the Tunneling Site in Strong-Field Ionization of H_{2}^{+}.

PubMed

Liu, Kunlong; Barth, Ingo

2017-12-15

The tunneling site of the electron in a molecule exposed to a strong laser field determines the initial position of the ionizing electron and, as a result, has a large impact on the subsequent ultrafast electron dynamics on the polyatomic Coulomb potential. Here, the tunneling site of the electron of H_{2}^{+} ionized by a strong circularly polarized (CP) laser pulse is studied by numerically solving the time-dependent Schrödinger equation. We show that the electron removed from the down-field site is directly driven away by the CP field and the lateral photoelectron momentum distribution (LPMD) exhibits a Gaussian-like distribution, whereas the corresponding LPMD of the electron removed from the up-field site differs from the Gaussian shape due to the Coulomb focusing and scattering by the down-field core. Our current study presents the direct evidence clarifying a long-standing controversy over the tunneling site in H_{2}^{+} and raises the important role of the tunneling site in strong-field molecular ionization.

Wavelength dependent photoelectron circular dichroism of limonene studied by femtosecond multiphoton laser ionization and electron-ion coincidence imaging

NASA Astrophysics Data System (ADS)

Rafiee Fanood, Mohammad M.; Janssen, Maurice H. M.; Powis, Ivan

2016-09-01

Enantiomers of the monoterpene limonene have been investigated by (2 + 1) resonance enhanced multiphoton ionization and photoelectron circular dichroism employing tuneable, circularly polarized femtosecond laser pulses. Electron imaging detection provides 3D momentum measurement while electron-ion coincidence detection can be used to mass-tag individual electrons. Additional filtering, by accepting only parent ion tagged electrons, can be then used to provide discrimination against higher energy dissociative ionization mechanisms where more than three photons are absorbed to better delineate the two photon resonant, one photon ionization pathway. The promotion of different vibrational levels and, tentatively, different electronic ion core configurations in the intermediate Rydberg states can be achieved with different laser excitation wavelengths (420 nm, 412 nm, and 392 nm), in turn producing different state distributions in the resulting cations. Strong chiral asymmetries in the lab frame photoelectron angular distributions are quantified, and a comparison made with a single photon (synchrotron radiation) measurement at an equivalent photon energy.

Measurement Of Gas Electron Multiplier (GEM) Detector Characteristics

NASA Astrophysics Data System (ADS)

Park, Seongtae; Baldelomar, Edwin; Park, Kwangjune; Sosebee, Mark; White, Andy; Yu, Jaehoon

2011-06-01

The High Energy Physics group of the University of Texas at Arlington has been developing gas electron multiplier detectors to use them as sensitive gap detectors in digital hadron calorimeters for the International Linear Collider, a future high energy particle accelerator. For this purpose, we constructed numerous GEM detectors that employ double GEM layers. In this study, two kinds of prototype GEM detectors were tested; one with 28×28 cm2 active area double GEM structure with a 3 mm drift gap, a 1 mm transfer gap and a 1 mm induction gap and the other with two 3×3 cm2 GEM foils in the amplifier stage with a 5 mm drift gap, a 2 mm transfer gap and a 1 mm induction gap. The detectors' characteristics from exposure to high-energy charged particles and other radiations were measured using cosmic rays and 55Fe radioactive source. From the 55Fe tests, we observed two well separated characteristic X-ray emission peaks and confirmed the detectors' functionality. We also measured chamber gains to be over 6000 at a high voltage of 395 V across each GEM electrode. The responses to cosmic rays show the spectra that fit well to Landau distributions as expected from minimum ionizing particles.

Short rise time intense electron beam generator

DOEpatents

Olson, Craig L.

1987-01-01

A generator for producing an intense relativistic electron beam having a subnanosecond current rise time includes a conventional generator of intense relativistic electrons feeding into a short electrically conductive drift tube including a cavity containing a working gas at a low enough pressure to prevent the input beam from significantly ionizing the working gas. Ionizing means such as a laser simultaneously ionize the entire volume of working gas in the cavity to generate an output beam having a rise time less than one nanosecond.

Short rise time intense electron beam generator

DOEpatents

Olson, C.L.

1984-03-16

A generator for producing an intense relativisitc electron beam having a subnanosecond current rise time includes a conventional generator of intense relativistic electrons feeding into a short electrically conductive drift tube including a cavity containing a working gas at a low enough pressure to prevent the input beam from significantly ionizing the working gas. Ionizing means such as a laser simultaneously ionize the entire volume of working gas in the cavity to generate an output beam having a rise time less than one nanosecond.

Electron Acceleration and Ionization Production in High-Power Heating Experiments at HAARP

NASA Astrophysics Data System (ADS)

Mishin, E. V.; Pedersen, T.

2012-12-01

Recent ionospheric modification experiments with the 3.6 MW transmitter at the High Frequency Active Auroral Research Program (HAARP) facility in Alaska led to discovery of artificial ionization descending from the nominal interaction altitude in the background F-region ionosphere by ~60-80 km. Artificial ionization production is indicated by significant 427.8 nm emissions from the 1st negative band of N2+ and the appearance of transmitter-induced bottomside traces in ionosonde data during the periods of most intense optical emissions. However, the exact mechanisms producing the artificial plasmas remain to be determined. Yet the only existing theoretical models explain the development of artificial plasma as an ionizing wavefront moving downward due to ionization by electrons accelerated by HF-excited strong Langmuir turbulence (SLT) generated near the plasma resonance, where the pump frequency matches the plasma frequency. However, the observations suggest also the significance of interactions with upper hybrid and electron Bernstein waves near multiples of the electron gyrofrequency. We describe recent observations and discuss suitable acceleration mechanisms.

Quantum-mechanical predictions of electron-induced ionization cross sections of DNA components

NASA Astrophysics Data System (ADS)

Champion, Christophe

2013-05-01

Ionization of biomolecules remains still today rarely investigated on both the experimental and the theoretical sides. In this context, the present work appears as one of the first quantum mechanical approaches providing a multi-differential description of the electron-induced ionization process of the main DNA components for impact energies ranging from the target ionization threshold up to about 10 keV. The cross section calculations are here performed within the 1st Born approximation framework in which the ejected electron is described by a Coulomb wave whereas the incident and the scattered electrons are both described by a plane wave. The biological targets of interest, namely, the DNA nucleobases and the sugar-phosphate backbone, are here described by means of the GAUSSIAN 09 system using the restricted Hartree-Fock method with geometry optimization. The theoretical predictions also obtained have shown a reasonable agreement with the experimental total ionization cross sections while huge discrepancies have been pointed out with existing theoretical models, mainly developed within a semi-classical framework.

High Power Light Gas Helicon Plasma Source For VASMIR

NASA Technical Reports Server (NTRS)

Squire, J. P.; Chang-Diaz, F. R.; Glover, T. W.; Jacobson, V. T.; McCaskill, G. E.; Winter, D. S.; Baity, F. W.; Carter, M. D.; Goulding, R. H.

2004-01-01

The VASIMR space propulsion development effort relies on a high power (greater than 10kW) helicon source to produce a dense flowing plasma (H, D and He) target for ion cyclotron resonance (ICR) acceleration of the ions. Subsequent expansion in an expanding magnetic field (magnetic nozzle) converts ion lunetic energy to directed momentum. This plasma source must have critical features to enable an effective propulsion device. First, it must ionize most of the input neutral flux of gas, thus producing a plasma stream with a high degree of ionization for application of ICR power. This avoids propellant waste and potential power losses due to charge exchange. Next, the plasma stream must flow into a region of high magnetic field (approximately 0.5 T) for efficient ICR acceleration. Third, the ratio of input power to plasma flux must be low, providing an energy per ion-electron pair approaching 100 eV. Lastly, the source must be robust and capable of very long life-times (years). In our helicon experiment (VX-10) we have measured a ratio of input gas to plasma flux near 100%. The plasma flows from the helicon region (B approximately 0.1 T) into a region with a peak magnetic field of 0.8 T. The energy input per ion-electron pair has been measured at 300 plus or minus 100 eV. Recent results at Oak Ridge National Laboratory (ORNL) show an enhanced efficiency mode of operation with a high power density, over 5 kW in a 5 cm diameter tube. Our helicon is presently 9 cm in diameter and operates up to 3.5 kW of input power. An upgrade to a power level of 10 kW is underway. Much of our recent work has been with a Boswell double-saddle antenna design. We are also converting the antenna design to a helical type. With these modifications, we anticipate an improvement in the ionization efficiency. This paper presents the results from scaling the helicon in the VX-10 device from 3.5 to 10 kW. We also compare the operation with a double-saddle to a helical antenna design. Finally, we discuss modeling of these configurations using ORNL's EMIR code.

Large Time Projection Chambers for Rare Event Detection

DOE Office of Scientific and Technical Information (OSTI.GOV)

Heffner, M

The Time Projection Chamber (TPC) concept [add ref to TPC section] has been applied to many projects outside of particle physics and the accelerator based experiments where it was initially developed. TPCs in non-accelerator particle physics experiments are principally focused on rare event detection (e.g. neutrino and darkmater experiments) and the physics of these experiments can place dramatically different constraints on the TPC design (only extensions to the traditional TPCs are discussed here). The drift gas, or liquid, is usually the target or matter under observation and due to very low signal rates a TPC with the largest active massmore » is desired. The large mass complicates particle tracking of short and sometimes very low energy particles. Other special design issues include, efficient light collection, background rejection, internal triggering and optimal energy resolution. Backgrounds from gamma-rays and neutrons are significant design issues in the construction of these TPCs. They are generally placed deep underground to shield from cosmogenic particles and surrounded with shielding to reduce radiation from the local surroundings. The construction materials have to be carefully screened for radiopurity as they are in close contact with the active mass and can be a signification source of background events. The TPC excels in reducing this internal background because the mass inside the fieldcage forms one monolithic volume from which fiducial cuts can be made ex post facto to isolate quiet drift mass, and can be circulated and purified to a very high level. Self shielding in these large mass systems can be significant and the effect improves with density. The liquid phase TPC can obtain a high density at low pressure which results in very good self-shielding and compact installation with a lightweight containment. The down sides are the need for cryogenics, slower charge drift, tracks shorter than the typical electron diffusion, lower energy resolution (e.g. xenon) and limited charge readout options. Slower charge drift requires long electron lifetimes placing strict limits on the oxygen and other impurities with high electron affinity. A significant variation of the liquid phase TPC, that improves the charge readout, is the dual-phase TPC where a gas phase layer is formed above the liquid into which the drifting electrons are extracted and amplified, typically with electroluminescence. The successful transfer of electrons through the phase boundary requires careful control of its position and setting up an appropriate electric field. A high pressure gas phase TPC has no cryogenics and density is easily optimized for the signal, but a large heavy pressure vessel is required. Although shelf shielding is reduced, it can in some cases approach that of the liquid phase; in xenon at 50atm the density is about half that of water or about 1/6 of liquid xenon. A significant feature of high pressure xenon gas is the energy resolution. Below a density of about 0.5g/cc the intrinsic resolution is only a few times that of high purity germanium. A neutrino-less double beta decay (0{nu}2{beta}) TPC operated below this density limit could enjoy excellent energy resolution and maintain particle tracking for background rejection. An observable interaction with the TPC results in a charged particle that travels in the drift matter exciting and ionizing the atoms until the initial energy is converted into ionization, scintillation, or heat with relatively large fluctuations around a mean distribution. Rare event TPCs can be designed to detect scintillation light as well as charge to exploit the anti-correlation to improve energy resolution and/or signal to noise. An electric drift field separates the electrons and positive ions from the ionization although the separation is not complete and some electrons are captured, exciting atoms and releasing more light than the primary excitation alone. The average partition between the scintillation and ionization can be manipulated to increase the ionization (at a loss of scintillation) by a number of methods such as, increasing the strength of the electric field up to a saturation of the ionization yield, increasing the temperature to enhance the diffusion of the ionized electrons, and adding dopants such as triethylamine that can be photoionized by the scintillation photons releasing more ionization. Scintillation light is typically collected with photomultiplier tubes (PMTs) and avalanche photo diodes (APDs) although any fast (compared to the ionization drift speed) light collector capable of detecting the typically UV photons, maintaining high radiopurity and perhaps withstanding pressure would work. CCDs are slow and therefore only record 2 dimensions integrating over the time direction, some of which can be recovered with a few PMTs.« less

Correlated electronic decay in expanding clusters triggered by intense XUV pulses from a Free-Electron-Laser

PubMed Central

Oelze, Tim; Schütte, Bernd; Müller, Maria; Müller, Jan P.; Wieland, Marek; Frühling, Ulrike; Drescher, Markus; Al-Shemmary, Alaa; Golz, Torsten; Stojanovic, Nikola; Krikunova, Maria

2017-01-01

Irradiation of nanoscale clusters and large molecules with intense laser pulses transforms them into highly-excited non- equilibrium states. The dynamics of intense laser-cluster interaction is encoded in electron kinetic energy spectra, which contain signatures of direct photoelectron emission as well as emission of thermalized nanoplasma electrons. In this work we report on a so far not observed spectrally narrow bound state signature in the electron kinetic energy spectra from mixed Xe core - Ar shell clusters ionized by intense extreme-ultraviolet (XUV) pulses from a free-electron-laser. This signature is attributed to the correlated electronic decay (CED) process, in which an excited atom relaxes and the excess energy is used to ionize the same or another excited atom or a nanoplasma electron. By applying the terahertz field streaking principle we demonstrate that CED-electrons are emitted at least a few picoseconds after the ionizing XUV pulse has ended. Following the recent finding of CED in clusters ionized by intense near-infrared laser pulses, our observation of CED in the XUV range suggests that this process is of general relevance for the relaxation dynamics in laser produced nanoplasmas. PMID:28098175

Modeling photoionization of aqueous DNA and its components.

PubMed

Pluhařová, Eva; Slavíček, Petr; Jungwirth, Pavel

2015-05-19

Radiation damage to DNA is usually considered in terms of UVA and UVB radiation. These ultraviolet rays, which are part of the solar spectrum, can indeed cause chemical lesions in DNA, triggered by photoexcitation particularly in the UVB range. Damage can, however, be also caused by higher energy radiation, which can ionize directly the DNA or its immediate surroundings, leading to indirect damage. Thanks to absorption in the atmosphere, the intensity of such ionizing radiation is negligible in the solar spectrum at the surface of Earth. Nevertheless, such an ionizing scenario can become dangerously plausible for astronauts or flight personnel, as well as for persons present at nuclear power plant accidents. On the beneficial side, ionizing radiation is employed as means for destroying the DNA of cancer cells during radiation therapy. Quantitative information about ionization of DNA and its components is important not only for DNA radiation damage, but also for understanding redox properties of DNA in redox sensing or labeling, as well as charge migration along the double helix in nanoelectronics applications. Until recently, the vast majority of experimental and computational data on DNA ionization was pertinent to its components in the gas phase, which is far from its native aqueous environment. The situation has, however, changed for the better due to the advent of photoelectron spectroscopy in liquid microjets and its most recent application to photoionization of aqueous nucleosides, nucleotides, and larger DNA fragments. Here, we present a consistent and efficient computational methodology, which allows to accurately evaluate ionization energies and model photoelectron spectra of aqueous DNA and its individual components. After careful benchmarking, the method based on density functional theory and its time-dependent variant with properly chosen hybrid functionals and polarizable continuum solvent model provides ionization energies with accuracy of 0.2-0.3 eV, allowing for faithful modeling and interpretation of DNA photoionization. The key finding is that the aqueous medium is remarkably efficient in screening the interactions within DNA such that, unlike in the gas phase, ionization of a base, nucleoside, or nucleotide depends only very weakly on the particular DNA context. An exception is the electronic interaction between neighboring bases which can lead to sequence-specific effects, such as a partial delocalization of the cationic hole upon ionization enabled by presence of adjacent bases of the same type.

Ultrafast absorption of intense x rays by nitrogen molecules

NASA Astrophysics Data System (ADS)

Buth, Christian; Liu, Ji-Cai; Chen, Mau Hsiung; Cryan, James P.; Fang, Li; Glownia, James M.; Hoener, Matthias; Coffee, Ryan N.; Berrah, Nora

2012-06-01

We devise a theoretical description for the response of nitrogen molecules (N2) to ultrashort and intense x rays from the free electron laser Linac Coherent Light Source (LCLS). We set out from a rate-equation description for the x-ray absorption by a nitrogen atom. The equations are formulated using all one-x-ray-photon absorption cross sections and the Auger and radiative decay widths of multiply-ionized nitrogen atoms. Cross sections are obtained with a one-electron theory and decay widths are determined from ab initio computations using the Dirac-Hartree-Slater (DHS) method. We also calculate all binding and transition energies of nitrogen atoms in all charge states with the DHS method as the difference of two self-consistent field (SCF) calculations (ΔSCF method). To describe the interaction with N2, a detailed investigation of intense x-ray-induced ionization and molecular fragmentation are carried out. As a figure of merit, we calculate ion yields and the average charge state measured in recent experiments at the LCLS. We use a series of phenomenological models of increasing sophistication to unravel the mechanisms of the interaction of x rays with N2: a single atom, a symmetric-sharing model, and a fragmentation-matrix model are developed. The role of the formation and decay of single and double core holes, the metastable states of N_2^{2+}, and molecular fragmentation are explained.

Hugoniot measurements of double-shocked precompressed dense xenon plasmas

NASA Astrophysics Data System (ADS)

Zheng, J.; Chen, Q. F.; Gu, Y. J.; Chen, Z. Y.

2012-12-01

The current partially ionized plasmas models for xenon show substantial differences since the description of pressure and thermal ionization region becomes a formidable task, prompting the need for an improved understanding of dense xenon plasmas behavior at above 100 GPa. We performed double-shock compression experiments on dense xenon to determine accurately the Hugoniot up to 172 GPa using a time-resolved optical radiation method. The planar strong shock wave was produced using a flyer plate impactor accelerated up to ˜6 km/s with a two-stage light-gas gun. The time-resolved optical radiation histories were acquired by using a multiwavelength channel optical transience radiance pyrometer. Shock velocity was measured and mass velocity was determined by the impedance-matching methods. The experimental equation of state of dense xenon plasmas are compared with the self-consistent fluid variational calculations of dense xenon in the region of partial ionization over a wide range of pressures and temperatures.

Note: a novel vacuum ultraviolet light source assembly with aluminum-coated electrodes for enhancing the ionization efficiency of photoionization mass spectrometry.

PubMed

Zhu, Zhixiang; Wang, Jian; Qiu, Keqing; Liu, Chengyuan; Qi, Fei; Pan, Yang

2014-04-01

A novel vacuum ultraviolet (VUV) light source assembly (VUVLSA) for enhancing the ionization efficiency of photoionization mass spectrometer has been described. The VUVLSA composes of a Krypton lamp and a pair of disk electrodes with circular center cavities. The two interior surfaces that face the photoionization region were aluminum-coated. VUV light can be reflected back and forth in the photoionization region between the electrodes, thus the photoionization efficiency can be greatly enhanced. The performances of two different shaped electrodes, the coated double flat electrodes (DFE), and double conical electrodes, were studied. We showed that the signal amplification of coated DFE is around 4 times higher than that of uncoated electrodes without VUV light reflection. The relationship between the pressure of ionization chamber and mass signal enhancement has also been studied.

Semiconductor detector with smoothly tunable effective thickness for the study of ionization loss by moderately relativistic electrons

NASA Astrophysics Data System (ADS)

Shchagin, A. V.; Shul'ga, N. F.; Trofymenko, S. V.; Nazhmudinov, R. M.; Kubankin, A. S.

2016-11-01

The possibility of measurement of electrons ionization loss in Si layer of smoothly tunable thickness is shown in the proof-of-principle experiment. The Si surface-barrier detector with the depleted layer thickness controlled by the value of high voltage power supply has been used. Ionization loss spectra for electrons emitted by radioactive source 207Bi are presented and discussed. Experimental results for the most probable ionization loss in the Landau spectral peak are compared with theoretical calculations. The possibility of research of evolution of electromagnetic field of ultra-relativistic particles traversing media interface with the use of detectors with smoothly tunable thickness is proposed.

Calculation of total electron excitation cross-sections and partial electron ionization cross-sections for the elements. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Green, T. J.

1973-01-01

Computer programs were used to calculate the total electron excitation cross-section for atoms and the partial ionization cross-section. The approximations to the scattering amplitude used are as follows: (1) Born, Bethe, and Modified Bethe for non-exchange excitation; (2) Ochkur for exchange excitation; and (3) Coulomb-Born of non-exchange ionization. The amplitudes are related to the differential cross-sections which are integrated to give the total excitation (or partial ionization) cross-section for the collision. The atomic wave functions used are Hartree-Fock-Slater functions for bound states and the coulomb wave function for the continuum. The programs are presented and the results are examined.

Ultrafast laser-induced modifications of energy bands of non-metal crystals

NASA Astrophysics Data System (ADS)

Gruzdev, Vitaly

2009-10-01

Ultrafast laser-induced variations of electron energy bands of transparent solids significantly influence ionization and conduction-band electron absorption driving the initial stage of laser-induced damage (LID). The mechanisms of the variations are attributed to changing electron functions from bonding to anti-bonding configuration via laser-induced ionization; laser-driven electron oscillations in quasi-momentum space; and direct distortion of the inter-atomic potential by electric field of laser radiation. The ionization results in the band-structure modification via accumulation of broken chemical bonds between atoms and provides significant contribution to the overall modification only when enough excited electrons are accumulated in the conduction band. The oscillations are associated with modification of electron energy by pondermotive potential of the oscillations. The direct action of radiation's electric field leads to specific high-frequency Franz-Keldysh effect (FKE) spreading the allowed electron states into the bands of forbidden energy. Those processes determine the effective band gap that is a laser-driven energy gap between the modified electron energy bands. Among those mechanisms, the latter two provide reversible band-structure modification that takes place from the beginning of the ionization and are, therefore, of special interest due to their strong influence on the initial stage of the ionization. The pondermotive potential results either in monotonous increase or oscillatory variations of the effective band gap that has been taken into account in some ionization models. The classical FKE provides decrease of the band gap. We analyzing the competition between those two opposite trends of the effective-band-gap variations and discuss applications of those effects for considerations of the laser-induced damage and its threshold in transparent solids.

Measurement of the spectra of low energy electrons resulting from Auger transitions induced by the annihilation of low energy positrons implanted at The Ag (100) surface

NASA Astrophysics Data System (ADS)

Shastry, Karthik; Joglekar, Prasad; Weiss, A. H.; Fazleev, N. G.

2013-04-01

A few percent of positrons bound to a solid surface annihilate with core electrons resulting in highly excited atoms containing core holes. These core holes may be filled in an auto-ionizing process in which a less tightly bound electron drops into the hole and the energy difference transferred to an outgoing "Auger electron." Because the core holes are created by annihilation and not impact it is possible to use very low energy positron beams to obtain annihilation induced Auger signals. The Auger signals so obtained have little or none of the large impact induced secondary electron background that interferes with measurements of the low energy Auger spectra obtained using the much higher incident energies necessary when using electron or photon beams. Here we present the results of measurements of the energy spectrum of low energy electrons emitted as a result of Positron Annihilation Induce Auger Electron Emission [1] from a clean Ag (100) surface. The measurements were performed using the University of Texas Arlington Time of Flight Positron Annihilation induced Auger Electron Spectrometer (T-O-F-PAES) System [2]. A strong double peak was observed at ˜35eV corresponding to the N2VV and N3VV Auger transitions in agreement with previous PAES studies [3].

Valence ionized states of iron pentacarbonyl and eta5-cyclopentadienyl cobalt dicarbonyl studied by symmetry-adapted cluster-configuration interaction calculation and collision-energy resolved Penning ionization electron spectroscopy.

PubMed

Fukuda, Ryoichi; Ehara, Masahiro; Nakatsuji, Hiroshi; Kishimoto, Naoki; Ohno, Koichi

2010-02-28

Valence ionized states of iron pentacarbonyl Fe(CO)(5) and eta(5)-cyclopentadienyl cobalt dicarbonyl Co(eta(5)-C(5)H(5))(CO)(2) have been studied by ultraviolet photoelectron spectroscopy, two-dimensional Penning ionization electron spectroscopy (2D-PIES), and symmetry-adapted cluster-configuration interaction calculations. Theory provided reliable assignments for the complex ionization spectra of these molecules, which have metal-carbonyl bonds. Theoretical ionization energies agreed well with experimental observations and the calculated wave functions could explain the relative intensities of PIES spectra. The collision-energy dependence of partial ionization cross sections (CEDPICS) was obtained by 2D-PIES. To interpret these CEDPICS, the interaction potentials between the molecules and a Li atom were examined in several coordinates by calculations. The relation between the slope of the CEDPICS and the electronic structure of the ionized states, such as molecular symmetry and the spatial distribution of ionizing orbitals, was analyzed. In Fe(CO)(5), an attractive interaction was obtained for the equatorial CO, while the interaction for the axial CO direction was repulsive. For Co(eta(5)-C(5)H(5))(CO)(2), the interaction potential in the direction of both Co-C-O and Co-Cp ring was attractive. These anisotropic interactions and ionizing orbital distributions consistently explain the relative slopes of the CEDPICS.

Compendium of Current Total Ionizing Dose and Displacement Damage Results from NASA Goddard Space Flight Center and NASA Electronic Parts and Packaging Program

NASA Technical Reports Server (NTRS)

Topper, Alyson D.; Campola, Michael J.; Chen, Dakai; Casey, Megan C.; Yau, Ka-Yen; Cochran, Donna J.; Label, Kenneth A.; Ladbury, Raymond L.; Mondy, Timothy K.; O'Bryan, Martha V.;

Parametrization of electron impact ionization cross sections for CO, CO2, NH3 and SO2

NASA Technical Reports Server (NTRS)

Srivastava, Santosh K.; Nguyen, Hung P.

1987-01-01

The electron impact ionization and dissociative ionization cross section data of CO, CO2, CH4, NH3, and SO2, measured in the laboratory, were parameterized utilizing an empirical formula based on the Born approximation. For this purpose an chi squared minimization technique was employed which provided an excellent fit to the experimental data.

Barium Tagging from nEXO Using Resonance Ionization Spectroscopy

NASA Astrophysics Data System (ADS)

Twelker, K.; Kravitz, S.

nEXO is a 5-ton liquid enriched-xenon time projection chamber (TPC) to search for neutrinoless double-beta decay, designed to have the sensitivity to completely probe the inverted mass hierarchy of Majorana neutrinos. The detector will accommodate-as a background reduction technique-a system to recover and identify the barium decay product. This upgrade will allow a background-free measurement of neutrinoless double-beta decay and increase the half-life sensitivity of the experiment by at least one order of magnitude. Ongoing research and development includes a system to test barium extraction from liquid xenon using surface adsorption and Resonance Ionization Spectroscopy (RIS).

Compendium of Total Ionizing Dose and Displacement Damage for Candidate Spacecraft Electronics for NASA

NASA Technical Reports Server (NTRS)

Cochran, Donna J.; Boutte, Alvin J.; Chen, Dakai; Pellish, Jonathan A.; Ladbury, Raymond L.; Casey, Megan C.; Campola, Michael J.; Wilcox, Edward P.; Obryan, Martha V.; LaBel, Kenneth A.;

Role of plasma electrons in the generation of a gas discharge plasma

NASA Astrophysics Data System (ADS)

Gruzdev, V. A.; Zalesski, V. G.; Rusetski, I. S.

2012-12-01

The role of different ionization mechanisms in penning-type gas discharges used to generate an emitting plasma in plasma electron sources is considered. It is shown that, under certain conditions, a substantial contribution to the process of gas ionization is provided by plasma electrons.

Miniature Free-Space Electrostatic Ion Thrusters

NASA Technical Reports Server (NTRS)

Hartley, Frank T.; Stephens, James B.

2006-01-01

A miniature electrostatic ion thruster is proposed for maneuvering small spacecraft. In a thruster based on this concept, one or more propellant gases would be introduced into an ionizer based on the same principles as those of the device described in an earlier article, "Miniature Bipolar Electrostatic Ion Thruster". On the front side, positive ions leaving an ionizer element would be accelerated to high momentum by an electric field between the ionizer and an accelerator grid around the periphery of the concave laminate structure. On the front side, electrons leaving an ionizer element would be ejected into free space by a smaller accelerating field. The equality of the ion and electron currents would eliminate the need for an additional electron- or ion-emitting device to keep the spacecraft charge-neutral. In a thruster design consisting of multiple membrane ionizers in a thin laminate structure with a peripheral accelerator grid, the direction of thrust could then be controlled (without need for moving parts in the thruster) by regulating the supply of gas to specific ionizer.

Resonant two-photon ionization and mass-analyzed threshold ionization spectroscopy of p-vinylaniline

NASA Astrophysics Data System (ADS)

Tzeng, Sheng Yuan; Dong, Changwu; Tzeng, Wen Bih

2012-10-01

We report the vibronic and cation spectra of p-vinylaniline, which are recorded by using the resonant two-photon ionization and the mass-analyzed threshold ionization spectroscopic techniques. The band origin of the S1 ← S0 electronic transition appears at 31,490 ± 2 cm-1 and the adiabatic ionization energy is determined to be 59,203 ± 5 cm-1. Due to the nature of the substituent, the amino and vinyl groups lead to lower electronic excitation and ionization energies by a few thousand wave numbers. Most of the observed active modes result from the in-plane ring deformation and substituent-sensitive vibrations of this molecule in the electronically excited S1 and cationic ground D0 states. By comparing the frequencies of the observed active vibrations, one may conclude that the molecular geometry and the vibrational coordinates of these modes of the p-vinylaniline cation in the D0 state resemble those of the neutral species in the S1 state.

Two-color ionization injection using a plasma beatwave accelerator

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schroeder, C. B.; Benedetti, C.; Esarey, E.

Two-color laser ionization injection is a method to generate ultra-low emittance (sub-100 nm transverse normalized emittance) beams in a laser-driven plasma accelerator. A plasma beatwave accelerator is proposed to drive the plasma wave for ionization injection, where the beating of the lasers effectively produces a train of long-wavelength pulses. The plasma beatwave accelerator excites a large amplitude plasma wave with low peak laser electric fields, leaving atomically-bound electrons with low ionization potential. A short-wavelength, low-amplitude ionization injection laser pulse (with a small ponderomotive force and large peak electric field) is used to ionize the remaining bound electrons at a wakemore » phase suitable for trapping, generating an ultra-low emittance electron beam that is accelerated in the plasma wave. Using a plasma beatwave accelerator for wakefield excitation, compared to short-pulse wakefield excitation, allows for a lower amplitude injection laser pulse and, hence, a lower emittance beam may be generated.« less

Two-color ionization injection using a plasma beatwave accelerator

DOE PAGES

Schroeder, C. B.; Benedetti, C.; Esarey, E.; ...

2018-01-10

Two-color laser ionization injection is a method to generate ultra-low emittance (sub-100 nm transverse normalized emittance) beams in a laser-driven plasma accelerator. A plasma beatwave accelerator is proposed to drive the plasma wave for ionization injection, where the beating of the lasers effectively produces a train of long-wavelength pulses. The plasma beatwave accelerator excites a large amplitude plasma wave with low peak laser electric fields, leaving atomically-bound electrons with low ionization potential. A short-wavelength, low-amplitude ionization injection laser pulse (with a small ponderomotive force and large peak electric field) is used to ionize the remaining bound electrons at a wakemore » phase suitable for trapping, generating an ultra-low emittance electron beam that is accelerated in the plasma wave. Using a plasma beatwave accelerator for wakefield excitation, compared to short-pulse wakefield excitation, allows for a lower amplitude injection laser pulse and, hence, a lower emittance beam may be generated.« less

Time-dependent quantum chemistry of laser driven many-electron molecules

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nguyen-Dang, Thanh-Tung; Couture-Bienvenue, Étienne; Viau-Trudel, Jérémy

2014-12-28

A Time-Dependent Configuration Interaction approach using multiple Feshbach partitionings, corresponding to multiple ionization stages of a laser-driven molecule, has recently been proposed [T.-T. Nguyen-Dang and J. Viau-Trudel, J. Chem. Phys. 139, 244102 (2013)]. To complete this development toward a fully ab-initio method for the calculation of time-dependent electronic wavefunctions of an N-electron molecule, we describe how tools of multiconfiguration quantum chemistry such as the management of the configuration expansion space using Graphical Unitary Group Approach concepts can be profitably adapted to the new context, that of time-resolved electronic dynamics, as opposed to stationary electronic structure. The method is applied tomore » calculate the detailed, sub-cycle electronic dynamics of BeH{sub 2}, treated in a 3–21G bound-orbital basis augmented by a set of orthogonalized plane-waves representing continuum-type orbitals, including its ionization under an intense λ = 800 nm or λ = 80 nm continuous-wave laser field. The dynamics is strongly non-linear at the field-intensity considered (I ≃ 10{sup 15} W/cm{sup 2}), featuring important ionization of an inner-shell electron and strong post-ionization bound-electron dynamics.« less

Lifetime of inner-shell hole states of Ar (2p) and Kr (3d) using equation-of-motion coupled cluster method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ghosh, Aryya; Vaval, Nayana, E-mail: np.vaval@ncl.res.in; Pal, Sourav

2015-07-14

Auger decay is an efficient ultrafast relaxation process of core-shell or inner-shell excited atom or molecule. Generally, it occurs in femto-second or even atto-second time domain. Direct measurement of lifetimes of Auger process of single ionized and double ionized inner-shell state of an atom or molecule is an extremely difficult task. In this paper, we have applied the highly correlated complex absorbing potential-equation-of-motion coupled cluster (CAP-EOMCC) approach which is a combination of CAP and EOMCC approach to calculate the lifetime of the states arising from 2p inner-shell ionization of an Ar atom and 3d inner-shell ionization of Kr atom. Wemore » have also calculated the lifetime of Ar{sup 2+}(2p{sup −1}3p{sup −1}) {sup 1}D, Ar{sup 2+}(2p{sup −1}3p{sup −1}) {sup 1}S, and Ar{sup 2+}(2p{sup −1}3s{sup −1}) {sup 1}P double ionized states. The predicted results are compared with the other theoretical results as well as experimental results available in the literature.« less

Rotationally resolved pulsed field ionization photoelectron study of CO[sup +](X[sup 2][Sigma][sup +],v[sup +]=0[endash]42) in the energy range of 13. 98[endash]21. 92 eV

DOE Office of Scientific and Technical Information (OSTI.GOV)

Evans, M.; Ng, C.Y.

1999-11-01

We have obtained rotationally resolved pulsed field ionization[endash]photoelectron (PFI-PE) spectra of CO in the energy range of 13.98[endash]21.92 eV, covering the ionization transitions CO[sup +](X hthinsp;[sup 2][Sigma][sup +],v[sup +]=0[endash]42,N[sup +])[l arrow]CO(X hthinsp;[sup 1][Sigma][sup +],v[sup [double prime

Absolute cross-sections for DNA strand breaks and crosslinks induced by low energy electrons

PubMed Central

Chen, Wenzhuang; Chen, Shiliang; Dong, Yanfang; Cloutier, Pierre; Sanche, Léon

2016-01-01

Absolute cross sections (CSs) for the interaction of low energy electrons with condensed macromolecules are essential parameters to accurately model ionizing radiation induced reactions. To determine CSs for various conformational DNA damage induced by 2–20 eV electrons, we investigated the influence of the attenuation length (AL) and penetration factor (f) using a mathematical model. Solid films of super-coiled plasmid DNA with thicknesses of 10, 15 and 20 nm were irradiated with 4.6, 5.6, 9.6 and 14.6 eV electrons. DNA conformational changes were quantified by gel electrophoresis, and the respective yields were extrapolated from exposure–response curves. The absolute CS, AL and f values were generated by applying the model developed by Rezaee et al. The values of AL were found to lie between 11 and 16 nm with the maximum at 14.6 eV. The absolute CSs for the loss of the supercoiled (LS) configuration and production of crosslinks (CL), single strand breaks (SSB) and double strand breaks (DSB) induced by 4.6, 5.6, 9.6 and 14.6 eV electrons are obtained. The CSs for SSB are smaller, but similar to those for LS, indicating that SSB are the main conformational damage. The CSs for DSB and CL are about one order of magnitude smaller than those of LS and SSB. The value of f is found to be independent of electron energy, which allows extending the absolute CSs for these types of damage within the range 2–20 eV, from previous measurements of effective CSs. When comparison is possible, the absolute CSs are found to be in good agreement with those obtained from previous similar studies with double-stranded DNA. The high values of the absolute CSs of 4.6 and 9.6 eV provide quantitative evidence for the high efficiency of low energy electrons to induce DNA damage via the formation of transient anions. PMID:27878170

Absolute cross-sections for DNA strand breaks and crosslinks induced by low energy electrons.

PubMed

Chen, Wenzhuang; Chen, Shiliang; Dong, Yanfang; Cloutier, Pierre; Zheng, Yi; Sanche, Léon

2016-12-07

Absolute cross sections (CSs) for the interaction of low energy electrons with condensed macromolecules are essential parameters to accurately model ionizing radiation induced reactions. To determine CSs for various conformational DNA damage induced by 2-20 eV electrons, we investigated the influence of the attenuation length (AL) and penetration factor (f) using a mathematical model. Solid films of supercoiled plasmid DNA with thicknesses of 10, 15 and 20 nm were irradiated with 4.6, 5.6, 9.6 and 14.6 eV electrons. DNA conformational changes were quantified by gel electrophoresis, and the respective yields were extrapolated from exposure-response curves. The absolute CS, AL and f values were generated by applying the model developed by Rezaee et al. The values of AL were found to lie between 11 and 16 nm with the maximum at 14.6 eV. The absolute CSs for the loss of the supercoiled (LS) configuration and production of crosslinks (CL), single strand breaks (SSB) and double strand breaks (DSB) induced by 4.6, 5.6, 9.6 and 14.6 eV electrons are obtained. The CSs for SSB are smaller, but similar to those for LS, indicating that SSB are the main conformational damage. The CSs for DSB and CL are about one order of magnitude smaller than those of LS and SSB. The value of f is found to be independent of electron energy, which allows extending the absolute CSs for these types of damage within the range 2-20 eV, from previous measurements of effective CSs. When comparison is possible, the absolute CSs are found to be in good agreement with those obtained from previous similar studies with double-stranded DNA. The high values of the absolute CSs of 4.6 and 9.6 eV provide quantitative evidence for the high efficiency of low energy electrons to induce DNA damage via the formation of transient anions.

Fragmentation pathways of tungsten hexacarbonyl clusters upon electron ionization.

PubMed

Neustetter, M; Jabbour Al Maalouf, E; Limão-Vieira, P; Denifl, S

2016-08-07

Electron ionization of neat tungsten hexacarbonyl (W(CO)6) clusters has been investigated in a crossed electron-molecular beam experiment coupled with a mass spectrometer system. The molecule is used for nanofabrication processes through electron beam induced deposition and ion beam induced deposition techniques. Positive ion mass spectra of W(CO)6 clusters formed by electron ionization at 70 eV contain the ion series of the type W(CO)n (+) (0 ≤ n ≤ 6) and W2(CO)n (+) (0 ≤ n ≤ 12). In addition, a series of peaks are observed and have been assigned to WC(CO)n (+) (0 ≤ n ≤ 3) and W2C(CO)n (+) (0 ≤ n ≤ 10). A distinct change of relative fragment ion intensity can be observed for clusters compared to the single molecule. The characteristic fragmentation pattern obtained in the mass spectra can be explained by a sequential decay of the ionized organometallic, which is also supported by the study of the clusters when embedded in helium nanodroplets. In addition, appearance energies for the dissociative ionization channels for singly charged ions have been estimated from experimental ion efficiency curves.

Pulse length of ultracold electron bunches extracted from a laser cooled gas

PubMed Central

Franssen, J. G. H.; Frankort, T. L. I.; Vredenbregt, E. J. D.; Luiten, O. J.

2017-01-01

We present measurements of the pulse length of ultracold electron bunches generated by near-threshold two-photon photoionization of a laser-cooled gas. The pulse length has been measured using a resonant 3 GHz deflecting cavity in TM110 mode. We have measured the pulse length in three ionization regimes. The first is direct two-photon photoionization using only a 480 nm femtosecond laser pulse, which results in short (∼15 ps) but hot (∼104 K) electron bunches. The second regime is just-above-threshold femtosecond photoionization employing the combination of a continuous-wave 780 nm excitation laser and a tunable 480 nm femtosecond ionization laser which results in both ultracold (∼10 K) and ultrafast (∼25 ps) electron bunches. These pulses typically contain ∼103 electrons and have a root-mean-square normalized transverse beam emittance of 1.5 ± 0.1 nm rad. The measured pulse lengths are limited by the energy spread associated with the longitudinal size of the ionization volume, as expected. The third regime is just-below-threshold ionization which produces Rydberg states which slowly ionize on microsecond time scales. PMID:28396879

Localized heating of electrons in ionization zones: Going beyond the Penning-Thornton paradigm in magnetron sputtering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Anders, Andre

2014-12-07

The fundamental question of how energy is supplied to a magnetron discharge is commonly answered by the Penning-Thornton paradigm invoking secondary electrons. Huo et al. (Plasma Sources Sci. Technol. 22, 045005, (2013)) used a global discharge model to show that electron heating in the electric field of the magnetic presheath is dominant. In this contribution, this concept is applied locally taking into account the electric potential structure of ionization zones. Images of ionization zones can and should be interpreted as diagrams of the localization of electric potential and related electron energy, where certain collisions promote or dampen their formation.

Total Ionizing Dose and Displacement Damage Compendium of Candidate Spacecraft Electronics for NASA

NASA Technical Reports Server (NTRS)

Cochran, Donna J.; Chen, Dakai; Oldham, Timothy R.; Sanders, Anthony B.; Kim, Hak S.; Campola, Michael J.; Buchner, Stephen P.; LaBel, Kenneth A.; Marshall, Cheryl J.; Pellish, Jonathan A.;

An (e, 2e+ ion) study of electron-impact ionization and fragmentation of tetrafluoromethane at low energies

NASA Astrophysics Data System (ADS)

Hossen, Khokon; Ren, Xueguang; Wang, Enliang; Kumar, S. V. K.; Dorn, Alexander

2018-03-01

We study ionization and fragmentation of tetrafluoromethane (CF4) molecule induced by electron impact at low energies ( E 0 = 38 and 67 eV). We use a reaction microscope combined with a pulsed photoemission electron beam for our experimental investigation. The momentum vectors of the two outgoing electrons (energies E 1, E 2) and one fragment ion are detected in triple coincidence (e, 2e+ ion). After dissociation, the fragment products observed are CF3 +, CF2 +, CF+, F+ and C+. For CF3 + and CF2 + channels, we measure the ionized orbitals binding energies, the kinetic energy (KE) of the charged fragments and the two-dimensional (2D) correlation map between binding energy (BE) and KE of the fragments. From the BE and KE spectra, we conclude which molecular orbitals contribute to particular fragmentation channels of CF4. We also measure the total ionization cross section for the formation of CF3 + and CF2 + ions as function of projectile energy. We compare our results with earlier experiments and calculations for electron-impact and photoionization. The major contribution to CF3 + formation originates from ionization of the 4t2 orbital while CF2 + is mainly formed after 3t2 orbital ionization. We also observe a weak contribution of the (4a1)-1 state for the channel CF3 +.

Complete solution of electronic excitation and ionization in electron-hydrogen molecule scattering

DOE PAGES

Zammit, Mark C.; Savage, Jeremy S.; Fursa, Dmitry V.; ...

2016-06-08

The convergent close-coupling method has been used to solve the electron-hydrogen molecule scattering problem in the fixed-nuclei approximation. Excellent agreement with experiment is found for the grand total, elastic, electronic-excitation, and total ionization cross sections from the very low to the very high energies. This shows that for the electronic degrees of freedom the method provides a complete treatment of electron scattering on molecules as it does for atoms.

PIC simulations of post-pulse field reversal and secondary ionization in nanosecond argon discharges

NASA Astrophysics Data System (ADS)

Kim, H. Y.; Gołkowski, M.; Gołkowski, C.; Stoltz, P.; Cohen, M. B.; Walker, M.

2018-05-01

Post-pulse electric field reversal and secondary ionization are investigated with a full kinetic treatment in argon discharges between planar electrodes on nanosecond time scales. The secondary ionization, which occurs at the falling edge of the voltage pulse, is induced by charge separation in the bulk plasma region. This process is driven by a reverse in the electric field from the cathode sheath to the formerly driven anode. Under the influence of the reverse electric field, electrons in the bulk plasma and sheath regions are accelerated toward the cathode. The electron movement manifests itself as a strong electron current generating high electron energies with significant electron dissipated power. Accelerated electrons collide with Ar molecules and an increased ionization rate is achieved even though the driving voltage is no longer applied. With this secondary ionization, in a single pulse (SP), the maximum electron density achieved is 1.5 times higher and takes a shorter time to reach using 1 kV 2 ns pulse as compared to a 1 kV direct current voltage at 1 Torr. A bipolar dual pulse excitation can increase maximum density another 50%–70% above a SP excitation and in half the time of RF sinusoidal excitation of the same period. The first field reversal is most prominent but subsequent field reversals also occur and correspond to electron temperature increases. Targeted pulse designs can be used to condition plasma density as required for fast discharge applications.

Electronic structures of elements according to ionization energies.

PubMed

Zadeh, Dariush H

2017-11-28

The electronic structures of elements in the periodic table were analyzed using available experimental ionization energies. Two new parameters were defined to carry out the study. The first parameter-apparent nuclear charge (ANC)-quantified the overall charge of the nucleus and inner electrons observed by an outer electron during the ionization process. This parameter was utilized to define a second parameter, which presented the shielding ability of an electron against the nuclear charge. This second parameter-electron shielding effect (ESE)-provided an insight into the electronic structure of atoms. This article avoids any sort of approximation, interpolation or extrapolation. First experimental ionization energies were used to obtain the two aforementioned parameters. The second parameter (ESE) was then graphed against the electron number of each element, and was used to read the corresponding electronic structure. The ESE showed spikes/peaks at the end of each electronic shell, providing insight into when an electronic shell closes and a new one starts. The electronic structures of elements in the periodic table were mapped using this methodology. These graphs did not show complete agreement with the previously known "Aufbau" filling rule. A new filling rule was suggested based on the present observations. Finally, a new way to organize elements in the periodic table is suggested. Two earlier topics of effective nuclear charge, and shielding factor were also briefly discussed and compared numerically to demonstrate the capability of the new approach.

Evidence for intramolecular OH⋯π hydrogen bonding in unsaturated alcohols from UV photoelectron spectroscopy

NASA Astrophysics Data System (ADS)

Kowski, Klaus; Lüttke, Wolfgang; Rademacher, Paul

2001-06-01

The gas phase He(I) photoelectron (PE) spectra of several unsaturated alcohols (1-11) have been measured and analysed with respect to intramolecular OH⋯π hydrogen bonding. Evidence for such a hydrogen bond has been detected in the spectra of 2-allylphenol (1) and 2-phenylethan-1-ol (3). 1 exists as a conformational mixture of a hydrogen bonded form 1a and an open form 1b in a composition of roughly 2:1. A strong ionization band (IPv=10.01 eV; where IPv is the vertical ionization potential) is assigned to the ethylenic Cdbnd C double bond in the major conformer (1a) and a weak band (IPv=9.72 eV) to that of the minor conformer (1b). The latter IP coincides with the corresponding ionization of allylbenzene. In the series of ω-phenylalkan-1-ols, compound 3 exhibits an unusually low nπ(O) ionization indicating hydrogen bonding between the OH group and the π electron system of the phenyl ring. The higher homologs 4 and 5 prefer 'open' conformations without such interaction. The PE spectra of alkenols such as but-3-en-1-ol (7) and pent-4-en-1-ol (8) as well as of alkynols such as but-3-yn-1-ol (10) and pent-4-yn-1-ol (11) are consistent with OH⋯π hydrogen bonded conformers. The methanol/ethylene hetero-dimer has a T-shaped structure, as indicated by B3LYP/6-311++G(d) calculations, with a binding energy of 5.65 kJ mol-1.

Heater-induced ionization inferred from spectrometric airglow measurements

NASA Astrophysics Data System (ADS)

Hysell, D. L.; Miceli, R. J.; Varney, R. H.; Schlatter, N.; Huba, J. D.

2013-12-01

Spectrographic airglow measurements were made during an ionospheric modification experiment at HAARP on March 12, 2013. Artificial airglow enhancements at 427.8, 557.7, 630.0, 777.4, and 844.6 nm were observed. On the basis of these emissions and using a methodology based on the method of Backus and Gilbert [1968, 1970], we estimate the suprathermal electron population and the subsequent equilibrium electron density profile, including contributions from electron impact ionization. We find that the airglow is consistent with significant induced ionization in view of the spatial intermittency of the airglow.

Generation of electron vortex states in ionization by intense and short laser pulses

NASA Astrophysics Data System (ADS)

Vélez, F. Cajiao; Krajewska, K.; Kamiński, J. Z.

2018-04-01

The generation of electron vortex states in ionization by intense and short laser pulses is analyzed under the scope of the lowest-order Born approximation. For near-infrared laser fields and nonrelativistic intensities of the order of 1016 W /cm2 , we show that one has to modify the nonrelativistic treatment of ionization by accounting for recoil and relativistic mass corrections. By using the corrected quasirelativistic theory, the requirements for the observation of electron vortex states with non-negligible probability and large topological charge are determined.

Ionization equilibrium and radiative energy loss rates for C, N, and O ions in low-density plasmas

NASA Technical Reports Server (NTRS)

Jacobs, V. L.; Davis, J.; Rogerson, J. E.; Blaha, M.

1978-01-01

The results of calculations of the ionization equilibrium and radiative energy loss rates for C, N and O ions in low-density plasmas are presented for electron temperatures in the range 10,000-10,000,000 K. The ionization structure is determined by using the steady-state corona model, in which electron impact ionization from the ground states is balanced by direct radiative and dielectronic recombination. With an improved theory, detailed calculations are carried out for the dielectronic recombination rates in which account is taken of all radiative and autoionization processes involving a single-electron electric-dipole transition of the recombining ion. The radiative energy loss processes considered are electron-impact excitation of resonance line emission, direct radiative recombination, dielectronic recombination, and electron-ion bremsstrahlung. For all three elements, resonance line emission resulting from 2s-2p transitions produces a broad maximum in the energy loss rate near 100,000 K.

Energetic electrons in the midlatitude nighttime E region

NASA Technical Reports Server (NTRS)

Smith, L. G.; Geller, M. A.; Voss, H. D.

1973-01-01

Nike Apache 14.439 was launched from Wallops Island at 0003 EST on 1 November 1972, a very disturbed night (K sub P = 8). A Geiger counter in the payload detected electrons ( keV) with a maximum flux of 1086 + or -261/sq cm/sec/ster. The height-averaged ionization rate in the upper E region is calculated from the measured electron density profile and has a value of 35 1/cu/cm/sec. The ionization rate can be reconciled with the observed flux of electrons ( 70 2 keV) if the spectrum ( keV) is of the form J ( E) = J sub O exp(-E/E sub O) with E sub O equal to 8.3 keV. The ionization rate on this and other nights is found to be strongly dependent on geomagnetic activity. It is suggested that energetic electrons are the principal source of ionization at midlatitudes in the upper E region near midnight, even under rather quiet geomagnetic conditions.

Deceleration processes of secondary electrons produced by a high-energy Auger electron in a biological context.

PubMed

Kai, Takeshi; Yokoya, Akinari; Ukai, Masatoshi; Fujii, Kentaro; Watanabe, Ritsuko

2016-11-01

To simulate the deceleration processes of secondary electrons produced by a high-energy Auger electron in water, and particularly to focus on the spatial and temporal distributions of the secondary electron and the collision events (e.g. ionization, electronic excitation, and dissociative electron attachment) that are involved in the multiplication of lesions at sites of DNA damage. We developed a dynamic Monte Carlo code that considers the Coulombic force between an ejected electron and its parent cation produced by the Auger electron in water. Thus our code can simulate some return electrons to the parent cations. Using the code, we calculated to within the order of femtoseconds the temporal evolution of collision events, the mean energy, and the mean traveling distance (including its spatial probability distribution) of the electron at an ejected energy of 20 eV. Some of the decelerating electrons in water in the Coulombic field were attracted to the ionized atoms (cations) by the Coulombic force within hundreds of femtoseconds, although the force did not significantly enhance the number of ionization, electronic excitation, and dissociative electron attachment collision events leading to water radiolysis. The secondary electrons are decelerated in water by the Coulombic force and recombined to the ionized atoms (cations). Furthermore, the some return electrons might be prehydrated in water layer near the parent cation in DNA if the electrons might be emitted from the DNA. The prehydrated electron originated from the return electron might play a significant role in inducing DNA damage.

Modeling the gain of inner-shell X-ray laser transitions in neon, argon, and copper driven by X-ray free electron laser radiation using photo-ionization and photo-excitation processes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nilsen, Joseph

2015-12-16

Using an X-ray free electron laser (XFEL) at 960 eV to photo-ionize the 1s electron in neutral neon followed by lasing on the 2p-1s transition in singly-ionized neon, an inner-shell X-ray laser was demonstrated at 849 eV in singly-ionized neon gas several years ago. It took decades to demonstrate this scheme, because it required a very strong X-ray source that could photo-ionize the 1s (K shell) electron in neon on a timescale comparable to the intrinsic Auger lifetime in neon of 2 fs. In this paper, we model the neon inner shell X-ray laser under similar conditions to those usedmore » in the XFEL experiments at the SLAC Linac Coherent Light Source (LCLS), and show how we can improve the efficiency of the neon laser and reduce the drive requirements by tuning the XFEL to the 1s-3p transition in neutral neon in order to create gain on the 2p-1s line in neutral neon. We also show how the XFEL could be used to photo-ionize L-shell electrons to drive gain on n = 3–2 transitions in singly-ionized Ar and Cu plasmas. Furthermore, these bright, coherent, and monochromatic X-ray lasers may prove very useful for doing high-resolution spectroscopy and for studying non-linear process in the X-ray regime.« less

Electron impact ionization in plasma technologies; studies on atomic boron and BN molecule

DOE Office of Scientific and Technical Information (OSTI.GOV)

Joshi, Foram M., E-mail: foram29@gmail.com; Joshipura, K. N., E-mail: knjoshipura22@gmail.com; Chaudhari, Asha S., E-mail: ashaschaudhari@gmail.com

2016-05-06

Electron impact ionization plays important role in plasma technologies. Relevant cross sections on atomic boron are required to understand the erosion processes in fusion experiments. Boronization of plasma exposed surfaces of tokomaks has proved to be an effective way to produce very pure fusion plasmas. This paper reports comprehensive theoretical investigations on electron scattering with atomic Boron and Boron Nitride in solid phases. Presently we determine total ionization cross-section Q{sub ion} and the summed-electronic excitation cross section ΣQ{sub exc} in a standard quantum mechanical formalism called SCOP and CSP-ic methods. Our calculated cross sections are examined as functions of incidentmore » electron energy along with available comparisons.« less

Dosimetry for electron Intra-Operative RadioTherapy: Comparison of output factors obtained through alanine/EPR pellets, ionization chamber and Monte Carlo-GEANT4 simulations for IORT mobile dedicate accelerator

NASA Astrophysics Data System (ADS)

Marrale, Maurizio; Longo, Anna; Russo, Giorgio; Casarino, Carlo; Candiano, Giuliana; Gallo, Salvatore; Carlino, Antonio; Brai, Maria

2015-09-01

In this work a comparison between the response of alanine and Markus ionization chamber was carried out for measurements of the output factors (OF) of electron beams produced by a linear accelerator used for Intra-Operative Radiation Therapy (IORT). Output factors (OF) for conventional high-energy electron beams are normally measured using ionization chamber according to international dosimetry protocols. However, the electron beams used in IORT have characteristics of dose per pulse, energy spectrum and angular distribution quite different from beams usually used in external radiotherapy, so the direct application of international dosimetry protocols may introduce additional uncertainties in dosimetric determinations. The high dose per pulse could lead to an inaccuracy in dose measurements with ionization chamber, due to overestimation of ks recombination factor. Furthermore, the electron fields obtained with IORT-dedicated applicators have a wider energy spectrum and a wider angular distribution than the conventional fields, due to the presence of electrons scattered by the applicator's wall. For this reason, a dosimetry system should be characterized by a minimum dependence from the beam energy and from angle of incidence of electrons. This become particularly critical for small and bevelled applicators. All of these reasons lead to investigate the use of detectors different from the ionization chamber for measuring the OFs. Furthermore, the complete characterization of the radiation field could be accomplished also by the use of Monte Carlo simulations which allows to obtain detailed information on dose distributions. In this work we compare the output factors obtained by means of alanine dosimeters and Markus ionization chamber. The comparison is completed by the Monte Carlo calculations of OFs determined through the use of the Geant4 application "iort _ therapy" . The results are characterized by a good agreement of response of alanine pellets and Markus ionization chamber and Monte Carlo results (within about 3%) for both flat and bevelled applicators.

E-beam ionized channel guiding of an intense relativistic electron beam

DOEpatents

Frost, Charles A.; Godfrey, Brendon B.; Kiekel, Paul D.; Shope, Steven L.

1988-01-01

An IREB is guided through a curved path by ionizing a channel in a gas with electrons from a filament, and confining the electrons to the center of the path with a magnetic field extending along the path. The magnetic field is preferably generated by a solenoid extending along the path.

Trends in Ionization Energy of Transition-Metal Elements

ERIC Educational Resources Information Center

Matsumoto, Paul S.

2005-01-01

A rationale for the difference in the periodic trends in the ionization energy of the transition-metal elements versus the main-group elements is presented. The difference is that in the transition-metal elements, the electrons enter an inner-shell electron orbital, while in the main-group elements, the electrons enter an outer-shell electron…

Influence of field emission on the propagation of cylindrical fast ionization wave in atmospheric-pressure nitrogen

DOE Office of Scientific and Technical Information (OSTI.GOV)

Levko, Dmitry; Raja, Laxminarayan L.

2016-04-21

The influence of field emission of electrons from surfaces on the fast ionization wave (FIW) propagation in high-voltage nanosecond pulse discharge in the atmospheric-pressure nitrogen is studied by a one-dimensional Particle-in-Cell Monte Carlo Collisions model. A strong influence of field emission on the FIW dynamics and plasma parameters is obtained. Namely, the accounting for the field emission makes possible the bridging of the cathode–anode gap by rather dense plasma (∼10{sup 13 }cm{sup −3}) in less than 1 ns. This is explained by the generation of runaway electrons from the field emitted electrons. These electrons are able to cross the entire gap pre-ionizingmore » it and promoting the ionization wave propagation. We have found that the propagation of runaway electrons through the gap cannot be accompanied by the streamer propagation, because the runaway electrons align the plasma density gradients. In addition, we have obtained that the field enhancement factor allows controlling the speed of ionization wave propagation.« less

Recombination of H3(+) and D3(+) Ions in a Flowing Afterglow Plasma

NASA Technical Reports Server (NTRS)

Gougousi, T.; Johnsen, R.; Golde, M. F.

1995-01-01

The analysis of flowing afterglow plasmas containing H3(+) or D3(+) ions indicates that the de-ionization of such plasmas does not occur by simple dissociative recombination of ions with electrons. An alternative model of de-ionization is proposed in which electrons are captured into H3(**) auto-ionization Rydberg states that are stabilized by collisional mixing of the Rydberg molecules' angular momenta. The proposed mechanism would enable de-ionization to occur without the need for dissociative recombination by the mechanisms of potential-surface crossings.

Negative ion source

DOEpatents

Leung, Ka-Ngo; Ehlers, Kenneth W.

1984-01-01

An ionization vessel is divided into an ionizing zone and an extraction zone by a magnetic filter. The magnetic filter prevents high-energy electrons from crossing from the ionizing zone to the extraction zone. A small positive voltage impressed on a plasma grid, located adjacent an extraction grid, positively biases the plasma in the extraction zone to thereby prevent positive ions from migrating from the ionizing zone to the extraction zone. Low-energy electrons, which would ordinarily be dragged by the positive ions into the extraction zone, are thereby prevented from being present in the extraction zone and being extracted along with negative ions by the extraction grid. Additional electrons are suppressed from the output flux using ExB drift provided by permanent magnets and the extractor grid electrical field.

Negative ion source

DOEpatents

Leung, K.N.; Ehlers, K.W.

1982-08-06

An ionization vessel is divided into an ionizing zone and an extraction zone by a magnetic filter. The magnetic filter prevents high-energy electrons from crossing from the ionizing zone to the extraction zone. A small positive voltage impressed on a plasma grid, located adjacent an extraction grid, positively biases the plasma in the extraction zone to thereby prevent positive ions from migrating from the ionizing zone to the extraction zone. Low-energy electrons, which would ordinarily be dragged by the positive ions into the extraction zone, are thereby prevented from being present in the extraction zone and being extracted along with negative ions by the extraction grid. Additional electrons are suppressed from the output flux using ExB drift provided by permanent magnets and the extractor grid electrical field.

Negative ion source

DOEpatents

Leung, K.N.; Ehlers, K.W.

1984-12-04

An ionization vessel is divided into an ionizing zone and an extraction zone by a magnetic filter. The magnetic filter prevents high-energy electrons from crossing from the ionizing zone to the extraction zone. A small positive voltage impressed on a plasma grid, located adjacent an extraction grid, positively biases the plasma in the extraction zone to thereby prevent positive ions from migrating from the ionizing zone to the extraction zone. Low-energy electrons, which would ordinarily be dragged by the positive ions into the extraction zone, are thereby prevented from being present in the extraction zone and being extracted along with negative ions by the extraction grid. Additional electrons are suppressed from the output flux using ExB drift provided by permanent magnets and the extractor grid electrical field. 14 figs.

Recent Total Ionizing Dose and Displacement Damage Compendium of Candidate Electronics for NASA Space Systems

NASA Technical Reports Server (NTRS)

Cochran, Donna J.; Boutte, Alvin J.; Campola, Michael J.; Carts, Martin A.; Casey, Megan C.; Chen, Dakai; LaBel, Kenneth A.; Ladbury, Raymond L.; Lauenstein, Jean-Marie; Marshall, Cheryl J.;

Energy of the quasi-free electron in supercritical krypton near the critical point.

PubMed

Li, Luxi; Evans, C M; Findley, G L

2005-12-01

Field ionization measurements of high-n CH(3)I and C(2)H(5)I Rydberg states doped into krypton are presented as a function of krypton number density along the critical isotherm. These data exhibit a decrease in the krypton-induced shift of the dopant ionization energy near the critical point. This change in shift is modeled to within +/-0.2% of experiment using a theory that accounts for the polarization of krypton by the dopant ion, the polarization of krypton by the quasi-free electron that arises from field ionization of the dopant, and the zero point kinetic energy of the free electron. The overall decrease in the shift of the dopant ionization energy near the critical point of krypton, which is a factor of 2 larger than that observed in argon, is dominated by the increase in the zero point kinetic energy of the quasi-free electron.

Photoionization and electron-impact ionization of Ar5+

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, J.C.; Lu, M.; Esteves, D.

2007-02-27

Absolute cross sections for photoionization andelectron-impact Photionization of Ar5+ have been measuredusing twodifferent interacting-beams setups. The spectra consist of measurementsof the yield of products dueto single ionization as a function ofelectron or photon energy. In addition, absolute photoionization andelectron-impact ionization cross sections were measured to normalize themeasured Ar6+ product-ion yield spectra. In the energy range from 90 to111 eV, both electron-impact ionization and photoionization of Ar5+aredominated by indirect 3s subshell excitation-autoionization. In theenergy range from 270 to 285 eV, resonances due to 2p-3dexcitation-autoionization are prominent in the photoionization spectrum.In the range from 225 to 335 eV, an enhancement due tomore » 2p-nl (n>2>excitations are evident in the electron-impactionization cross section.The electron and photon impact data show some features due to excitationof the same intermediate autoionizing states.« less

Electron-Impact Excitation and Ionization in Air

DTIC Science & Technology

2009-09-01

average collision frequency, is more than 100 times larger. Even in the slightly ionized regime with only 1% electrons, the frequency of electron...information is estimated to average 1 hour per response, including the time for reviewing instructions, searching existing data sources, gathering and...physics-based model of nonequilibrium chemistry and radiation in hypersonic flow, it is timely to investigate and update the electron collision cross

Sequential double photodetachment of He- in elliptically polarized laser fields

NASA Astrophysics Data System (ADS)

Génévriez, Matthieu; Dunseath, Kevin M.; Terao-Dunseath, Mariko; Urbain, Xavier

2018-02-01

Four-photon double detachment of the helium negative ion is investigated experimentally and theoretically for photon energies where the transient helium atom is in the 1 s 2 s 3S or 1 s 2 p P3o states, which subsequently ionize by absorption of three photons. Ionization is enhanced by intermediate resonances, giving rise to series of peaks in the He+ spectrum, which we study in detail. The He+ yield is measured in the wavelength ranges from 530 to 560 nm and from 685 to 730 nm and for various polarizations of the laser light. Double detachment is treated theoretically as a sequential process, within the framework of R -matrix theory for the first step and effective Hamiltonian theory for the second step. Experimental conditions are accurately modeled, and the measured and simulated yields are in good qualitative and, in some cases, quantitative agreement. Resonances in the double detachment spectra can be attributed to well-defined Rydberg states of the transient atom. The double detachment yield exhibits a strong dependence on the laser polarization which can be related to the magnetic quantum number of the intermediate atomic state. We also investigate the possibility of nonsequential double detachment with a two-color experiment but observe no evidence for it.

Simulation of Ionization Effects for High-Density Positron Drivers in future Plasma Wakefield Experiments

NASA Astrophysics Data System (ADS)

Dimitrov, D. A.; Bruhwiler, D. L.; Busby, R.; Cary, J. R.; Esarey, E.; Leemans, W.

2003-10-01

Recent particle-in-cell simulations have shown [1] that the self-fields of an electron beam driver in a plasma wakefield accelerator can tunnel ionize neutral Li, leading to plasma wake dynamics differing significantly from that of a preionized plasma. It has also been shown, for the case of a preionized plasma, that the plasma wake of a positron driver differs strongly [2] from that of an electron driver. We will present particle- in-cell simulations, using the OOPIC [3] code, showing the effects of tunneling ionization on the plasma wake generated by high-density electron and positron drivers. The results will be compared to previous work on electron drivers with tunneling ionization and positron drivers without ionization. Parameters relevant to the E-164 and E-164x experiments at SLAC will be considered. [1] D.L. Bruhwiler et al., Phys. Plasmas 10 (2003), p. 2022. [2] S. Lee et al., Phys. Rev. E 64, 045501(R) (2001). [3] D.L. Bruhwiler et al., Phys. Rev. ST-AB 4, 101302 (2001).

The use of nanomaterials for mass spectrometry can be uplifting for analyte detection

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, J.; Lipson, R. H.

2014-03-31

Surface-Assisted Laser Desorption Ionization (SALDI) involves desorbing and ionizing analyte molecules from a nanoporous substrate by laser irradiation for detection in a mass spectrometer. In this work experiments were designed to better understand the mechanisms governing desorption and ionization for Desorption Ionization On Silicon (DIOS), a variant of SALDI which uses porous silicon (pSi) as a substrate. Experiments are also reported for other nanoporous semiconducting materials (WO{sub 3}, TiO{sub 2}) which exhibit very similar behaviors; specifically, that both protonated analyte ions and analyte radical cations can be generated with relative intensities that depend on the position of the incident lasermore » focus relative to substrate surface. While thermal desorption appears to be important, preliminary evidence suggests that the ionization mechanism leading to protonated analytes involves in part electrons and holes formed when photoexciting the substrate above its electronic band gap, and the presence of defect states within the band gap. Radical cation formation appears to be driven in part by electron transfer due to the large electron affinity of each substrate used in this work.« less

Dynamics of tunneling ionization using Bohmian mechanics

NASA Astrophysics Data System (ADS)

Douguet, Nicolas; Bartschat, Klaus

2018-01-01

Recent attoclock experiments and theoretical studies regarding the strong-field ionization of atoms by few-cycle infrared pulses revealed features that have attracted much attention. Here we investigate tunneling ionization and the dynamics of the electron probability using Bohmian mechanics. We consider a one-dimensional problem to illustrate the underlying mechanisms of the ionization process. It is revealed that in the major part of the below-the-barrier ionization regime, in an intense and short infrared pulse, the electron does not tunnel through the entire barrier, but rather starts already from the classically forbidden region. Moreover, we highlight the correspondence between the probability of locating the electron at a particular initial position and its asymptotic momentum. Bohmian mechanics also provides a natural definition of mean tunneling time and exit position, taking account of the time dependence of the barrier. Finally, we find that the electron can exit the barrier with significant kinetic energy, thereby corroborating the results of a recent study [N. Camus et al., Phys. Rev. Lett. 119, 023201 (2017), 10.1103/PhysRevLett.119.023201].

Zethrene biradicals: How pro-aromaticity is expressed in the ground electronic state and in the lowest energy singlet, triplet, and ionic states

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zafra, José Luis; González Cano, Rafael C.; Ruiz Delgado, M. Carmen

A analysis of the electronic and molecular structures of new molecular materials based on zethrene is presented with particular attention to those systems having a central benzo-quinoidal core able to generate Kekulé biradicals whose stability is provided by the aromaticity recovery in this central unit. These Kekulé biradicals display singlet ground electronic states thanks to double spin polarization and have low-energy lying triplet excited states also featured by the aromaticity gain. Pro-aromatization is also the driving force for the stabilization of the ionized species. Moreover, the low energy lying singlet excited states also display a profound biradical fingerprint allowing tomore » singlet exciton fission. These properties are discussed in the context of the size of the zethrene core and of its substitution. The work encompasses all known long zethrenes and makes use of a variety of experimental techniques, such as Raman, UV-Vis-NIR absorption, transient absorption, in situ spectroelectrochemistry and quantum chemical calculations. This study reveals how the insertion of suitable molecular modules (i.e., quinoidal) opens the door to new intriguing molecular properties exploitable in organic electronics.« less

Use of the Bethe equation for inner-shell ionization by electron impact

DOE Office of Scientific and Technical Information (OSTI.GOV)

Powell, Cedric J.; Llovet, Xavier; Salvat, Francesc

2016-05-14

We analyzed calculated cross sections for K-, L-, and M-shell ionization by electron impact to determine the energy ranges over which these cross sections are consistent with the Bethe equation for inner-shell ionization. Our analysis was performed with K-shell ionization cross sections for 26 elements, with L-shell ionization cross sections for seven elements, L{sub 3}-subshell ionization cross sections for Xe, and M-shell ionization cross sections for three elements. The validity (or otherwise) of the Bethe equation could be checked with Fano plots based on a linearized form of the Bethe equation. Our Fano plots, which display theoretical cross sections andmore » available measured cross sections, reveal two linear regions as predicted by de Heer and Inokuti [in Electron Impact Ionization, edited by T. D. Märk and G. H. Dunn, (Springer-Verlag, Vienna, 1985), Chap. 7, pp. 232–276]. For each region, we made linear fits and determined values of the two element-specific Bethe parameters. We found systematic variations of these parameters with atomic number for both the low- and the high-energy linear regions of the Fano plots. We also determined the energy ranges over which the Bethe equation can be used.« less

Beyond the Electrostatic Ionosphere: Dynamic Coupling of the Magnetosphere and Ionosphere

NASA Astrophysics Data System (ADS)

Lysak, R. L.; Song, Y.

2017-12-01

Many models of magnetospheric dynamics treat the ionosphere as a height-integrated slab in which the electric fields are electrostatic. However, in dynamic situations, the coupling between magnetosphere and ionosphere is achieved by the propagation of shear Alfvén waves. Hall effects lead to a coupling of shear Alfvén and fast mode waves, resulting in an inductive electric field and a compressional component of the magnetic field. It is in fact this compressional magnetic field that is largely responsible for the magnetic fields seen on the ground. A fully inductive ionosphere model is required to describe this situation. The shear Alfvén waves are affected by the strong gradient in the Alfvén speed above the ionosphere, setting up the ionospheric Alfvén resonator with wave periods in the 1-10 second range. These waves develop a parallel electric field on small scales that can produce a broadband acceleration of auroral electrons, which form the Alfvénic aurora. Since these electrons are relatively low in energy (hundreds of eV to a few keV), they produce auroral emissions as well as ionization at higher altitudes. Therefore, they can produce localized columns of ionization that lead to structuring in the auroral currents due to phase mixing or feedback interactions. This implies that the height-integrated description of the ionosphere is not appropriate in these situations. These considerations suggest that the Alfvénic aurora may, at least in some cases, act as a precursor to the development of a quasi-static auroral arc. The acceleration of electrons and ions produces a density cavity at higher altitudes that favors the formation of parallel electric fields. Furthermore, the precipitating electrons will produce secondary and backscattered electrons that provide a necessary population for the formation of double layers. These interactions strongly suggest that the simple electrostatic boundary condition often assumed is inadequate to describe auroral arc formation.

Full-Scale Model of Subionospheric VLF Signal Propagation Based on First-Principles Charged Particle Transport Calculations

NASA Astrophysics Data System (ADS)

Kouznetsov, A.; Cully, C. M.; Knudsen, D. J.

2016-12-01

Changes in D-Region ionization caused by energetic particle precipitation are monitored by the Array for Broadband Observations of VLF/ELF Emissions (ABOVE) - a network of receivers deployed across Western Canada. The observed amplitudes and phases of subionospheric-propagating VLF signals from distant artificial transmitters depend sensitively on the free electron population created by precipitation of energetic charged particles. Those include both primary (electrons, protons and heavier ions) and secondary (cascades of ionized particles and electromagnetic radiation) components. We have designed and implemented a full-scale model to predict the received VLF signals based on first-principle charged particle transport calculations coupled to the Long Wavelength Propagation Capability (LWPC) software. Calculations of ionization rates and free electron densities are based on MCNP-6 (a general-purpose Monte Carlo N- Particle) software taking advantage of its capability of coupled neutron/photon/electron transport and novel library of cross-sections for low-energetic electron and photon interactions with matter. Cosmic ray calculations of background ionization are based on source spectra obtained both from PAMELA direct Cosmic Rays spectra measurements and based on the recently-implemented MCNP 6 galactic cosmic-ray source, scaled using our (Calgary) neutron monitor measurement results. Conversion from calculated fluxes (MCNP F4 tallies) to ionization rates for low-energy electrons are based on the total ionization cross-sections for oxygen and nitrogen molecules from the National Institute of Standard and Technology. We use our model to explore the complexity of the physical processes affecting VLF propagation.

Plasma diagnosis as a tool for the determination of the parameters of electron beam evaporation and sources of ionization

NASA Astrophysics Data System (ADS)

Mukherjee, Jaya; Dileep Kumar, V.; Yadav, S. P.; Barnwal, Tripti A.; Dikshit, Biswaranjan

2016-07-01

The atomic vapor generated by electron beam heating is partially ionized due to atom-atom collisions (Saha ionization) and electron impact ionization, which depend upon the source temperature and area of evaporation as compared to the area of electron beam bombardment on the target. When electron beam evaporation is carried out by inserting the target inside an insulating liner to reduce conductive heat loss, it is expected that the area of evaporation becomes significantly more than the area of electron beam bombardment on the target, resulting in reduced electron impact ionization. To assess this effect and to quantify the parameters of evaporation, such as temperature and area of evaporation, we have carried out experiments using zirconium, tin and aluminum as a target. By measuring the ion content using a Langmuir probe, in addition to measuring the atomic vapor flux at a specific height, and by combining the experimental data with theoretical expressions, we have established a method for simultaneously inferring the source temperature, evaporation area and ion fraction. This assumes significance because the temperature cannot be reliably measured by an optical pyrometer due to the wavelength dependent source emissivity and reflectivity of thin film mirrors. In addition, it also cannot be inferred from only the atomic flux data at a certain height as the area of evaporation is unknown (it can be much more than the area of electron bombardment, especially when the target is placed in a liner). Finally, the reason for the lower observed electron temperatures of the plasma for all the three cases is found to be the energy loss due to electron impact excitation of the atomic vapor during its expansion from the source.

Compendium of Current Total Ionizing Dose Results and Displacement Damage Results for Candidate Spacecraft Electronics for NASA

NASA Technical Reports Server (NTRS)

Cochran, Donna J.; O'Bryan, Martha V.; Buchner, Stephen P.; Poivey, Christian; Ladbury, Ray L.; LaBel, Kenneth A.

2007-01-01

Sensitivity of a variety of candidate spacecraft electronics to total ionizing dose and displacement damage is studied. Devices tested include optoelectronics, digital, analog, linear bipolar devices, and hybrid devices.

Bound-Electron Nonlinearity Beyond the Ionization Threshold.

PubMed

Wahlstrand, J K; Zahedpour, S; Bahl, A; Kolesik, M; Milchberg, H M

2018-05-04

We present absolute space- and time-resolved measurements of the ultrafast laser-driven nonlinear polarizability in argon, krypton, xenon, nitrogen, and oxygen up to ionization fractions of a few percent. These measurements enable determination of the strongly nonperturbative bound-electron nonlinear polarizability well beyond the ionization threshold, where it is found to remain approximately quadratic in the laser field, a result normally expected at much lower intensities where perturbation theory applies.

Bound-Electron Nonlinearity Beyond the Ionization Threshold

NASA Astrophysics Data System (ADS)

Wahlstrand, J. K.; Zahedpour, S.; Bahl, A.; Kolesik, M.; Milchberg, H. M.

2018-05-01

We present absolute space- and time-resolved measurements of the ultrafast laser-driven nonlinear polarizability in argon, krypton, xenon, nitrogen, and oxygen up to ionization fractions of a few percent. These measurements enable determination of the strongly nonperturbative bound-electron nonlinear polarizability well beyond the ionization threshold, where it is found to remain approximately quadratic in the laser field, a result normally expected at much lower intensities where perturbation theory applies.

Oxidation of Carbon Nanotubes in an Ionizing Environment.

PubMed

Koh, Ai Leen; Gidcumb, Emily; Zhou, Otto; Sinclair, Robert

2016-02-10

In this work, we present systematic studies on how an illuminating electron beam which ionizes molecular gas species can influence the mechanism of carbon nanotube oxidation in an environmental transmission electron microscope (ETEM). We found that preferential attack of the nanotube tips is much more prevalent than for oxidation in a molecular gas environment. We establish the cumulative electron doses required to damage carbon nanotubes from 80 keV electron beam irradiation in gas versus in high vacuum. Our results provide guidelines for the electron doses required to study carbon nanotubes within or without a gas environment, to determine or ameliorate the influence of the imaging electron beam. This work has important implications for in situ studies as well as for the oxidation of carbon nanotubes in an ionizing environment such as that occurring during field emission.

Pulsed-field ionization zero electron kinetic energy spectrum of the ground electronic state of BeOBe+.

PubMed

Antonov, Ivan O; Barker, Beau J; Heaven, Michael C

2011-01-28

The ground electronic state of BeOBe(+) was probed using the pulsed-field ionization zero electron kinetic energy photoelectron technique. Spectra were rotationally resolved and transitions to the zero-point level, the symmetric stretch fundamental and first two bending vibrational levels were observed. The rotational state symmetry selection rules confirm that the ground electronic state of the cation is (2)Σ(g)(+). Detachment of an electron from the HOMO of neutral BeOBe results in little change in the vibrational or rotational constants, indicating that this orbital is nonbonding in nature. The ionization energy of BeOBe [65480(4) cm(-1)] was refined over previous measurements. Results from recent theoretical calculations for BeOBe(+) (multireference configuration interaction) were found to be in good agreement with the experimental data.

Ionization compression impact on dense gas distribution and star formation. Probability density functions around H II regions as seen by Herschel

NASA Astrophysics Data System (ADS)

Tremblin, P.; Schneider, N.; Minier, V.; Didelon, P.; Hill, T.; Anderson, L. D.; Motte, F.; Zavagno, A.; André, Ph.; Arzoumanian, D.; Audit, E.; Benedettini, M.; Bontemps, S.; Csengeri, T.; Di Francesco, J.; Giannini, T.; Hennemann, M.; Nguyen Luong, Q.; Marston, A. P.; Peretto, N.; Rivera-Ingraham, A.; Russeil, D.; Rygl, K. L. J.; Spinoglio, L.; White, G. J.

2014-04-01

Aims: Ionization feedback should impact the probability distribution function (PDF) of the column density of cold dust around the ionized gas. We aim to quantify this effect and discuss its potential link to the core and initial mass function (CMF/IMF). Methods: We used Herschel column density maps of several regions observed within the HOBYS key program in a systematic way: M 16, the Rosette and Vela C molecular clouds, and the RCW 120 H ii region. We computed the PDFs in concentric disks around the main ionizing sources, determined their properties, and discuss the effect of ionization pressure on the distribution of the column density. Results: We fitted the column density PDFs of all clouds with two lognormal distributions, since they present a "double-peak" or an enlarged shape in the PDF. Our interpretation is that the lowest part of the column density distribution describes the turbulent molecular gas, while the second peak corresponds to a compression zone induced by the expansion of the ionized gas into the turbulent molecular cloud. Such a double peak is not visible for all clouds associated with ionization fronts, but it depends on the relative importance of ionization pressure and turbulent ram pressure. A power-law tail is present for higher column densities, which are generally ascribed to the effect of gravity. The condensations at the edge of the ionized gas have a steep compressed radial profile, sometimes recognizable in the flattening of the power-law tail. This could lead to an unambiguous criterion that is able to disentangle triggered star formation from pre-existing star formation. Conclusions: In the context of the gravo-turbulent scenario for the origin of the CMF/IMF, the double-peaked or enlarged shape of the PDF may affect the formation of objects at both the low-mass and the high-mass ends of the CMF/IMF. In particular, a broader PDF is required by the gravo-turbulent scenario to fit the IMF properly with a reasonable initial Mach number for the molecular cloud. Since other physical processes (e.g., the equation of state and the variations among the core properties) have already been said to broaden the PDF, the relative importance of the different effects remains an open question. Herschel is an ESA space observatory with science instruments provided by European-led Principal Investigator consortia and with important participation from NASA.

Inhibition of APOBEC3G activity impedes double-stranded DNA repair.

PubMed

Prabhu, Ponnandy; Shandilya, Shivender M D; Britan-Rosich, Elena; Nagler, Adi; Schiffer, Celia A; Kotler, Moshe

2016-01-01

The cellular cytidine deaminase APOBEC3G (A3G) was first described as an anti-HIV-1 restriction factor, acting by directly deaminating reverse transcripts of the viral genome. HIV-1 Vif neutralizes the activity of A3G, primarily by mediating degradation of A3G to establish effective infection in host target cells. Lymphoma cells, which express high amounts of A3G, can restrict Vif-deficient HIV-1. Interestingly, these cells are more stable in the face of treatments that result in double-stranded DNA damage, such as ionizing radiation and chemotherapies. Previously, we showed that the Vif-derived peptide (Vif25-39) efficiently inhibits A3G deamination, and increases the sensitivity of lymphoma cells to ionizing radiation. In the current study, we show that additional peptides derived from Vif, A3G, and APOBEC3F, which contain the LYYF motif, inhibit deamination activity. Each residue in the Vif25-39 sequence moderately contributes to the inhibitory effect, whereas replacing a single residue in the LYYF motif completely abrogates inhibition of deamination. Treatment of A3G-expressing lymphoma cells exposed to ionizing radiation with the new inhibitory peptides reduces double-strand break repair after irradiation. Incubation of cultured irradiated lymphoma cells with peptides that inhibit double-strand break repair halts their propagation. These results suggest that A3G may be a potential therapeutic target that is amenable to peptide and peptidomimetic inhibition. © 2015 FEBS.

Absolute cross-section measurements of inner-shell ionization

NASA Astrophysics Data System (ADS)

Schneider, Hans; Tobehn, Ingo; Ebel, Frank; Hippler, Rainer

1994-12-01

Cross section ratios for K- and L-shell ionization of thin silver and gold targets by positron and electron impact have been determined at projectile energies of 30 70 keV. The experimental results are confirmed by calculations in plane wave Born approximation (PWBA) which include an electron exchange term and account for the deceleration or acceleration of the incident projectile in the nuclear field of the target atom. We report first absolute cross sections for K- and L-shell ionization of silver and gold targets by lepton impact in the threshold region. We have measured the corresponding cross sections for electron (e-) impact with an electron gun and the same experimental set-up.

The Spectroscopy and Photophysics of Aniline, 2-AMINOPYRIDINE, and 3-AMINOPYRIDINE

NASA Astrophysics Data System (ADS)

Kim, Byungjoo

1995-01-01

Two-photon ionization photoelectron spectroscopic techniques have been employed in concert with a picosecond laser system and molecular beam machine to study the vibrational structure of molecular ions and the intramolecular dynamics of optically prepared intermediate states. From photoelectron spectra of 2-aminopyridine via various S_1 vibronic resonances, the frequencies of several vibrations in the ionic state are assigned. The ionization potential of the molecule is found to be 8.099 +/- 0.003 eV. Using two-color ionization techniques, the electronic overlap effects in the photoionization of excited molecules have been studied, on the example of 2-aminopyridine, 3-aminopyridine, and aniline. The molecules are excited to their S_1 states, and ionized by a 200 nm laser pulse within 50 ps. The spectra of the aminopyridines show a striking absence of transitions to excited electronic states of the ions, indicating small electronic overlap factors in the ionization transitions and very little configuration interaction in the S _1 states. The spectra of aniline show the vibrationally resolved first excited electronic state band of the ion, which is very weak compared to the ground electronic state band, indicating a small amount of orbital mixing in the S_1 state. The vibrational peaks in the band were assigned by comparison of the spectra via two different vibronic resonances. The observations demonstrate that electronic overlap effects play a very general role in the ionization of polyatomic molecules in electronically excited states, and that orbital mixing patterns of the excited electronic states may become observable by projecting molecular electronic wavefunctions onto the ion states. In the time-delayed experiments for these molecules, all spectra reveal only one product of the nonradiative relaxation process. Careful considerations of electronic and vibrational overlap propensity rules for the ionization step lead to the conclusion that the dominant nonradiative decay mechanism in these molecules is the intersystem crossing to excited vibrational states of the T_1 state. This technique has been applied to study the predissociation process of CS_2 in the S_3 vibronic levels near 200 nm. The spectra show extensive vibrational structure, with unusual activity in the antisymmetric vibrations, indicating the possibility of level mixing in the intermediate state by the IVR couplings.

Energetic electrons in the midlatitude nighttime E-region

NASA Technical Reports Server (NTRS)

Smith, L. G.; Geller, M. A.; Voss, H. D.

1974-01-01

An analysis of electron density profiles in the upper E region near midnight at Wallops Island is shown to indicate that the ionization rate is very strongly correlated with geomagnetic activity. This suggests that energetic electrons are the principal source of ionization at midlatitudes in the upper E region near midnight, even under rather quiet geomagnetic conditions.

E-beam ionized channel guiding of an intense relativistic electron beam

DOEpatents

Frost, C.A.; Godfrey, B.B.; Kiekel, P.D.; Shope, S.L.

1988-05-10

An IREB is guided through a curved path by ionizing a channel in a gas with electrons from a filament, and confining the electrons to the center of the path with a magnetic field extending along the path. The magnetic field is preferably generated by a solenoid extending along the path. 2 figs.

Analysis of plasma-mediated ablation in aqueous tissue

NASA Astrophysics Data System (ADS)

Jiao, Jian; Guo, Zhixiong

2012-06-01

Plasma-mediated ablation using ultrafast lasers in transparent media such as aqueous tissues is studied. It is postulated that a critical seed free electron density exists due to the multiphoton ionization in order to trigger the avalanche ionization which causes ablation and during the avalanche ionization process the contribution of laser-induced photon ionization is negligible. Based on this assumption, the ablation process can be treated as two separate processes - the multiphoton and avalanche ionizations - at different time stages; so that an analytical solution to the evolution of plasma formation is obtained for the first time. The analysis is applied to plasma-mediated ablation in corneal epithelium and validated via comparison with experimental data available in the literature. The critical seed free-electron density and the time to initiate the avalanche ionization for sub-picosecond laser pulses are analyzed. It is found that the critical seed free-electron density decreases as the pulse width increases, obeying a tp-5.65 rule. This model is further extended to the estimation of crater size in the ablation of tissue-mimic polydimethylsiloxane (PDMS). The results match well with the available experimental measurements.

Laser resonance ionization spectroscopy of antimony

NASA Astrophysics Data System (ADS)

Li, R.; Lassen, J.; Ruczkowski, J.; Teigelhöfer, A.; Bricault, P.

2017-02-01

The resonant ionization laser ion source is an element selective, efficient and versatile ion source to generate radioactive ion beams at on-line mass separator facilities. For some elements with complex atomic structures and incomplete spectroscopic data, laser spectroscopic investigations are required for ionization scheme development. Laser resonance ionization spectroscopy using Ti:Sa lasers has been performed on antimony (Sb) at TRIUMF's off-line laser ion source test stand. Laser light of 230.217 nm (vacuum wavelength) as the first excitation step and light from a frequency-doubled Nd:YVO4 laser (532 nm) as the nonresonant ionization step allowed to search for suitable second excitation steps by continuous wavelength scans from 720 nm to 920 nm across the wavelength tuning range of a grating-tuned Ti:Sa laser. Upon the identification of efficient SES, the third excitation steps for resonance ionization were investigated by laser scans across Rydberg states, the ionization potential and autoionizing states. One Rydberg state and six AI states were found to be well suitable for efficient resonance ionization.

Three component plasma electron distribution in the intermediate ionized coma of Comet Giacobini-Zinner

NASA Astrophysics Data System (ADS)

Zwickl, R. D.; Baker, D. N.; Bame, S. J.; Feldman, W. C.; Fuselier, S. A.; Huebner, W. F.; McComas, D. J.; Young, D. T.

1986-04-01

The observation of three distinct components of the electron distribution function measured in the intermediate ionized coma (IIC) and plasma tail of Comet Giacobini-Zinner is reported. It is believed that the cold component represents electrons produced close to the comet nucleus by ionization of cometary matter and subsequent cooling by Coulomb collisions. The second component also appears to be composed of electrons produced by photoionization of cometary neutrals, but sufficiently far from the nucleus that the distributions are largely unaffected by Coulomb interactions. The hot component is probably a population of electrons originating in the solar wind. Throughout the IIC, the electrostatic potential of the spacecraft was very low (less than 0.8 eV), implying that ICE generated very little impact-produced plasma during its passage.

Triply differential measurements of single ionization of argon by 1-keV positron and electron impact

NASA Astrophysics Data System (ADS)

Gavin, J.; de Lucio, O. G.; DuBois, R. D.

2017-06-01

By establishing coincidences between target ions and scattered projectiles, and coincidences between target ions, scattered projectiles, and ejected electrons, triply differential cross-section (TDCS) information was generated in terms of projectile energy loss and scattering angles for interactions between 1-keV positrons and electrons and Ar atoms. The conversion of the raw experimental information to the TDCS is discussed. The single-ionization TDCS exhibits two distinguishable regions (lobes) where binary and recoil interactions can be described by two peaks. A comparison of the positron and electron impact data shows that the relative intensity of both binary and recoil interactions decreases exponentially as a function of the momentum transfer and is larger when ionization is induced by positron impact, when compared with electron impact.

Ionization Potentials for Isoelectronic Series.

ERIC Educational Resources Information Center

Agmon, Noam

1988-01-01

Presents a quantitative treatment of ionization potentials of isoelectronic atoms. By looking at the single-electron view of calculating the total energy of an atom, trends in the screening and effective quantum number parameters are examined. Approaches the question of determining electron affinities. (CW)

Heater-induced ionization inferred from spectrometric airglow measurements

NASA Astrophysics Data System (ADS)

Hysell, D. L.; Miceli, R. J.; Kendall, E. A.; Schlatter, N. M.; Varney, R. H.; Watkins, B. J.; Pedersen, T. R.; Bernhardt, P. A.; Huba, J. D.

2014-03-01

Spectrographic airglow measurements were made during an ionospheric modification experiment at High Frequency Active Auroral Research Program on 12 March 2013. Artificial airglow enhancements at 427.8, 557.7, 630.0, 777.4, and 844.6 nm were observed. On the basis of these emissions and using a methodology based on the method of Backus and Gilbert (1968, 1970), we estimate the suprathermal electron population and the subsequent equilibrium electron density profile, including contributions from electron impact ionization. We find that the airglow is consistent with heater-induced ionization in view of the spatial intermittency of the airglow.

Electronic-type vacuum gauges with replaceable elements

DOEpatents

Edwards, Jr., David

1984-01-01

In electronic devices for measuring pressures in vacuum systems, the metal elements which undergo thermal deterioration are made readily replaceable by making them parts of a simple plug-in unit. Thus, in ionization gauges, the filament and grid or electron collector are mounted on the novel plug-in unit. In thermocouple pressure gauges, the heater and attached thermocouple are mounted on the plug-in unit. Plug-in units have been designed to function, alternatively, as ionization gauge and as thermocouple gauge, thus providing new gauges capable of measuring broader pressure ranges than is possible with either an ionization gauge or a thermocouple gauge.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xue, Haizhou; Zhang, Yanwen; Weber, William J.

Understanding how energy deposited in electronic and atomic subsystems may affect defect dynamics is a long-standing fundamental challenge in materials research. The coupling of displacement cascades and in-cascade ionization-induced annealing are investigated in silicon carbide (SiC). A delayed damage accumulation under ion irradiation is revealed with a linear dependence as a function of both increasing ionization and increasing ratio of electronic to nuclear energy deposition. An in-cascade healing mechanism is suggested with a low threshold value of electronic energy loss (~1.0 keV nm-1). The in-cascade ionization effects must be considered in predicting radiation performance of SiC.

Fragmentation pathways of tungsten hexacarbonyl clusters upon electron ionization

DOE Office of Scientific and Technical Information (OSTI.GOV)

Neustetter, M.; Jabbour Al Maalouf, E.; Denifl, S., E-mail: Stephan.Denifl@uibk.ac.at, E-mail: plimaovieira@fct.unl.pt

2016-08-07

Electron ionization of neat tungsten hexacarbonyl (W(CO){sub 6}) clusters has been investigated in a crossed electron-molecular beam experiment coupled with a mass spectrometer system. The molecule is used for nanofabrication processes through electron beam induced deposition and ion beam induced deposition techniques. Positive ion mass spectra of W(CO){sub 6} clusters formed by electron ionization at 70 eV contain the ion series of the type W(CO){sub n}{sup +} (0 ≤ n ≤ 6) and W{sub 2}(CO){sub n}{sup +} (0 ≤ n ≤ 12). In addition, a series of peaks are observed and have been assigned to WC(CO){sub n}{sup +} (0 ≤more » n ≤ 3) and W{sub 2}C(CO){sub n}{sup +} (0 ≤ n ≤ 10). A distinct change of relative fragment ion intensity can be observed for clusters compared to the single molecule. The characteristic fragmentation pattern obtained in the mass spectra can be explained by a sequential decay of the ionized organometallic, which is also supported by the study of the clusters when embedded in helium nanodroplets. In addition, appearance energies for the dissociative ionization channels for singly charged ions have been estimated from experimental ion efficiency curves.« less

Trajectory calculations of two-dimensional Penning ionization electron spectra of N 2 in collision with metastable He* 2 3S atoms

NASA Astrophysics Data System (ADS)

Ohno, Koichi; Yamazaki, Masakazu; Kishimoto, Naoki; Ogawa, Tetsuji; Takeshita, Kouichi

2000-12-01

Ionization cross-sections of N 2 in collision with He* 2 3S as functions of the collision energy and the ejected electron kinetic energy (two-dimensional Penning ionization electron spectra, 2D-PIES) have been evaluated by trajectory calculations based on quantum chemical potential surfaces of both entrance and exit channels as well as on the transition widths for producing X, A, and B states of N 2+. The present approach using a Li atom for He * and an overlap approximation for Γ has given theoretical 2D-PIES in good agreement with the observation and a promise for its application to the study of dynamics in collisional ionization involving highly anisotropic target systems.

Electron-Impact Total Ionization Cross Sections of CH and C2H2

PubMed Central

Kim, Yong-Ki; Ali, M. Asgar; Rudd, M. Eugene

1997-01-01

Electron-impact total ionization cross sections for the CH radical and C2H2 (acetylene) have been calculated using the Binary-Encounter-Bethe (BEB) model. The BEB model combines the Mott cross section and the asymptotic form of the Bethe theory, and has been shown to generate reliable ionization cross sections for a large variety of molecules. The BEB cross sections for CH and C2H2 are in good agreement with the available experimental data from ionization thresholds to hundreds of eV in incident energies. PMID:27805116

Calculations of the Electron Energy Distribution Function in a Uranium Plasma by Analytic and Monte Carlo Techniques. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Bathke, C. G.

1976-01-01

Electron energy distribution functions were calculated in a U235 plasma at 1 atmosphere for various plasma temperatures and neutron fluxes. The distributions are assumed to be a summation of a high energy tail and a Maxwellian distribution. The sources of energetic electrons considered are the fission-fragment induced ionization of uranium and the electron induced ionization of uranium. The calculation of the high energy tail is reduced to an electron slowing down calculation, from the most energetic source to the energy where the electron is assumed to be incorporated into the Maxwellian distribution. The pertinent collisional processes are electron-electron scattering and electron induced ionization and excitation of uranium. Two distinct methods were employed in the calculation of the distributions. One method is based upon the assumption of continuous slowing and yields a distribution inversely proportional to the stopping power. An iteration scheme is utilized to include the secondary electron avalanche. In the other method, a governing equation is derived without assuming continuous electron slowing. This equation is solved by a Monte Carlo technique.

Electron energy deposition in N2 gas

NASA Technical Reports Server (NTRS)

Fox, J. L.; Victor, G. A.

1988-01-01

The processes by which energetic electrons lose energy in a weakly ionized gas of molecular nitrogen are analyzed and calculations are carried out taking into account the discrete nature of the excitation processes. The excitation, ionization, dissociation and heating efficiencies are computed for energies up to 200 eV absorbed in a gas with fractional ionizations varying from 10(-6) to 10(-2). Individual vibrational excitations up to the seventh vibrational level are presented.

Accurate ab initio binding energies of the benzene dimer.

PubMed

Park, Young Choon; Lee, Jae Shin

2006-04-20

Accurate binding energies of the benzene dimer at the T and parallel displaced (PD) configurations were determined using the single- and double-coupled cluster method with perturbative triple correction (CCSD(T)) with correlation-consistent basis sets and an effective basis set extrapolation scheme recently devised. The difference between the estimated CCSD(T) basis set limit electronic binding energies for the T and PD shapes appears to amount to more than 0.3 kcal/mol, indicating the PD shape is a more stable configuration than the T shape for this dimer in the gas phase. This conclusion is further strengthened when a vibrational zero-point correction to the electronic binding energies of this dimer is made, which increases the difference between the two configurations to 0.4-0.5 kcal/mol. The binding energies of 2.4 and 2.8 kcal/mol for the T and PD configurations are in good accord with the previous experimental result from ionization potential measurement.

Structure assignment, electronic properties, and magnetism quenching of endohedrally doped neutral silicon clusters, Si(n)Co (n = 10-12).

PubMed

Li, Yejun; Tam, Nguyen Minh; Claes, Pieterjan; Woodham, Alex P; Lyon, Jonathan T; Ngan, Vu Thi; Nguyen, Minh Tho; Lievens, Peter; Fielicke, André; Janssens, Ewald

2014-09-18

The structures of neutral cobalt-doped silicon clusters have been assigned by a combined experimental and theoretical study. Size-selective infrared spectra of neutral Si(n)Co (n = 10-12) clusters are measured using a tunable IR-UV two-color ionization scheme. The experimental infrared spectra are compared with calculated spectra of low-energy structures predicted at the B3P86 level of theory. It is shown that the Si(n)Co (n = 10-12) clusters have endohedral caged structures, where the silicon frameworks prefer double-layered structures encapsulating the Co atom. Electronic structure analysis indicates that the clusters are stabilized by an ionic interaction between the Co dopant atom and the silicon cage due to the charge transfer from the silicon valence sp orbitals to the cobalt 3d orbitals. Strong hybridization between the Co dopant atom and the silicon host quenches the local magnetic moment on the encapsulated Co atom.

Study of dust particle charging in weakly ionized inert gases taking into account the nonlocality of the electron energy distribution function

DOE Office of Scientific and Technical Information (OSTI.GOV)

Filippov, A. V., E-mail: fav@triniti.ru; Dyatko, N. A.; Kostenko, A. S.

2014-11-15

The charging of dust particles in weakly ionized inert gases at atmospheric pressure has been investigated. The conditions under which the gas is ionized by an external source, a beam of fast electrons, are considered. The electron energy distribution function in argon, krypton, and xenon has been calculated for three rates of gas ionization by fast electrons: 10{sup 13}, 10{sup 14}, and 10{sup 15} cm{sup −1}. A model of dust particle charging with allowance for the nonlocal formation of the electron energy distribution function in the region of strong plasma quasi-neutrality violation around the dust particle is described. The nonlocalitymore » is taken into account in an approximation where the distribution function is a function of only the total electron energy. Comparative calculations of the dust particle charge with and without allowance for the nonlocality of the electron energy distribution function have been performed. Allowance for the nonlocality is shown to lead to a noticeable increase in the dust particle charge due to the influence of the group of hot electrons from the tail of the distribution function. It has been established that the screening constant virtually coincides with the smallest screening constant determined according to the asymptotic theory of screening with the electron transport and recombination coefficients in an unperturbed plasma.« less

Efficient and scalable ionization of neutral atoms by an orderly array of gold-doped silicon nanowires

NASA Astrophysics Data System (ADS)

Bucay, Igal; Helal, Ahmed; Dunsky, David; Leviyev, Alex; Mallavarapu, Akhila; Sreenivasan, S. V.; Raizen, Mark

2017-04-01

Ionization of atoms and molecules is an important process in many applications and processes such as mass spectrometry. Ionization is typically accomplished by electron bombardment, and while it is scalable to large volumes, is also very inefficient due to the small cross section of electron-atom collisions. Photoionization methods can be highly efficient, but are not scalable due to the small ionization volume. Electric field ionization is accomplished using ultra-sharp conducting tips biased to a few kilovolts, but suffers from a low ionization volume and tip fabrication limitations. We report on our progress towards an efficient, robust, and scalable method of atomic and molecular ionization using orderly arrays of sharp, gold-doped silicon nanowires. As demonstrated in earlier work, the presence of the gold greatly enhances the ionization probability, which was attributed to an increase in available acceptor surface states. We present here a novel process used to fabricate the nanowire array, results of simulations aimed at optimizing the configuration of the array, and our progress towards demonstrating efficient and scalable ionization.

Compendium of Current Total Ionizing Dose and Displacement Damage Results from NASA GSFC and NEPP

NASA Technical Reports Server (NTRS)

Topper, Alyson D.; Campola, Michael J.; Chen, Dakai; Casey, Megan C.; Yau, Ka-Yen; Label, Kenneth A.; Cochran, Donna J.; O'Bryan, Martha V.

2017-01-01

Total ionizing dose and displacement damage testing was performed to characterize and determine the suitability of candidate electronics for NASA space utilization. Devices tested include opto-electronics, digital, analog, linear bipolar devices, and hybrid devices.

Resonant recombination and autoionization in electron-ion collisions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mueller, A.

1990-06-01

The occurence of resonances in elastic and inelastic electron-ion collisions is discussed. Resonant processes involve excitation of the ion with simultaneous capture of the initially free electron. The decay mechanism subsequent to the formation of the intermediate multiply excited state determines whether a resonance is found in recombination, excitation, elastic scattering, in single or even in multiple ionization. This review concentrates on resonances in the ionization channel. Correlated two-electron transitions are considered.

Three chamber negative ion source

DOEpatents

Leung, Ka-Ngo; Ehlers, Kenneth W.; Hiskes, John R.

1985-01-01

A negative ion vessel is divided into an excitation chamber, a negative ionization chamber and an extraction chamber by two magnetic filters. Input means introduces neutral molecules into a first chamber where a first electron discharge means vibrationally excites the molecules which migrate to a second chamber. In the second chamber a second electron discharge means ionizes the molecules, producing negative ions which are extracted into or by a third chamber. A first magnetic filter prevents high energy electrons from entering the negative ionization chamber from the excitation chamber. A second magnetic filter prevents high energy electrons from entering the extraction chamber from the negative ionizing chamber. An extraction grid at the end of the negative ion vessel attracts negative ions into the third chamber and accelerates them. Another grid, located adjacent to the extraction grid, carries a small positive voltage in order to inhibit positive ions from migrating into the extraction chamber and contour the plasma potential. Additional electrons can be suppressed from the output flux using ExB forces provided by magnetic field means and the extractor grid electric potential.

On ionizing shock waves

NASA Astrophysics Data System (ADS)

Kaniel, A.; Igra, O.; Ben-Dor, G.; Mond, M.

The flow field in the ionizing relaxation zone developed behind a normal shock wave in an electrically neutral, homogeneous, two temperature mixture of thermally ideal gases (molecules, atoms, ions, electrons) was numerically solved. The heat transfer between the electron gas and the other components was taken into account while all the other transport phenomena (molecular, turbulent and radiative) were neglected in the relaxation zone, since it is dominated by inelastic collisions. The threshold cross sections measured by Specht (1981), for excitation of argon by electron collisions, were used. The calculated results show good agreement with the results of the shock tube experiments presented by Glass and Liu (1978), especially in the electron avalanche region. A critical examination was made of the common assumptions regarding the average energy with which electrons are produced by atom-atom collisions and the relative effectiveness of atom-atom collisions (versus electron-atom collisions) in ionizing excited argon.

Study of transport of laser-driven relativistic electrons in solid materials

NASA Astrophysics Data System (ADS)

Leblanc, Philippe

With the ultra intense lasers available today, it is possible to generate very hot electron beams in solid density materials. These intense laser-matter interactions result in many applications which include the generation of ultrashort secondary sources of particles and radiation such as ions, neutrons, positrons, x-rays, or even laser-driven hadron therapy. For these applications to become reality, a comprehensive understanding of laser-driven energy transport including hot electron generation through the various mechanisms of ionization, and their subsequent transport in solid density media is required. This study will focus on the characterization of electron transport effects in solid density targets using the state-of- the-art particle-in-cell code PICLS. A number of simulation results will be presented on the topics of ionization propagation in insulator glass targets, non-equilibrium ionization modeling featuring electron impact ionization, and electron beam guiding by the self-generated resistive magnetic field. An empirically derived scaling relation for the resistive magnetic in terms of the laser parameters and material properties is presented and used to derive a guiding condition. This condition may prove useful for the design of future laser-matter interaction experiments.

Dissociative Ionization of Benzene by Electron Impact

NASA Technical Reports Server (NTRS)

Huo, Winifred; Dateo, Christopher; Kwak, Dochan (Technical Monitor)

2002-01-01

We report a theoretical study of the dissociative ionization (DI) of benzene from the low-lying ionization channels. Our approach makes use of the fact that electron motion is much faster than nuclear motion and DI is treated as a two-step process. The first step is electron-impact ionization resulting in an ion with the same nuclear geometry as the neutral molecule. In the second step the nuclei relax from the initial geometry and undergo unimolecular dissociation. For the ionization process we use the improved binary-encounter dipole (iBED) model. For the unimolecular dissociation step, we study the steepest descent reaction path to the minimum of the ion potential energy surface. The path is used to analyze the probability of unimolecular dissociation and to determine the product distributions. Our analysis of the dissociation products and the thresholds of the productions are compared with the result dissociative photoionization measurements of Feng et al. The partial oscillator strengths from Feng et al. are then used in the iBED cross section calculations.

Evidence for unnatural-parity contributions to electron-impact ionization of laser-aligned atoms

DOE PAGES

Armstrong, Gregory S. J.; Colgan, James Patrick; Pindzola, M. S.; ...

2015-09-11

Recent measurements have examined the electron-impact ionization of excited-state laser-aligned Mg atoms. In this paper we show that the ionization cross section arising from the geometry where the aligned atom is perpendicular to the scattering plane directly probes the unnatural parity contributions to the ionization amplitude. The contributions from natural parity partial waves cancel exactly in this geometry. Our calculations resolve the discrepancy between the nonzero measured cross sections in this plane and the zero cross section predicted by distorted-wave approaches. Finally, we demonstrate that this is a general feature of ionization from p-state targets by additional studies of ionizationmore » from excited Ca and Na atoms.« less

Theoretical study of electronic structures and spectroscopic properties of Ga3Sn, GaSn3, and their ions.

PubMed

Zhu, Xiaolei

2007-01-01

Ground and excited states of mixed gallium stannide tetramers (Ga3Sn, Ga3Sn+, Ga3Sn-, GaSn3, GaSn3+, and GaSn3-) are investigated employing the complete active space self-consistent-field (CASSCF), density function theory (DFT), and the coupled-cluster single and double substitution (including triple excitations) (CCSD(T)) methods. The ground states of Ga3Sn, Ga3Sn+, and Ga3Sn- are found to be the 2A1, 3B1, and 1A1 states in C2v symmetry with a planar quadrilateral geometry, respectively. The ground states of GaSn3 and GaSn3- is predicted to be the 2A1 and 1A1 states in C2v point group with a planar quadrilateral structure, respectively, while the ground state of GaSn3+ is the 1A1 state with ideal triangular pyramid C3v geometry. Equilibrium geometries, vibrational frequencies, binding energies, electron affinities, ionization energies, and other properties of Ga3Sn and GaSn3 are computed and discussed. The anion photoelectron spectra of Ga3Sn- and GaSn3- are also predicted. It is interesting to find that the amount of charge transfer between Ga and Sn2 atoms in the 1A1 state of GaSn3+ greatly increases upon electron ionization from the 2A1 state of GaSn3, which may be caused by large geometry change. On the other hand, the results of the low-lying states of Ga3Sn and GaSn3 are compared with those of Ga3Si and GaSi3.

Theoretical study of electronic structures and spectroscopic properties of Ga 3Sn, GaSn 3, and their ions

NASA Astrophysics Data System (ADS)

Zhu, Xiaolei

2007-01-01

Ground and excited states of mixed gallium stannide tetramers (Ga 3Sn, Ga 3Sn +, Ga 3Sn -, GaSn 3, GaSn 3+, and GaSn 3-) are investigated employing the complete active space self-consistent-field (CASSCF), density function theory (DFT), and the coupled-cluster single and double substitution (including triple excitations) (CCSD(T)) methods. The ground states of Ga 3Sn, Ga 3Sn +, and Ga 3Sn - are found to be the 2A 1, 3B 1, and 1A 1 states in C2v symmetry with a planar quadrilateral geometry, respectively. The ground states of GaSn 3 and GaSn 3- is predicted to be the 2A 1 and 1A 1 states in C2v point group with a planar quadrilateral structure, respectively, while the ground state of GaSn 3+ is the 1A 1 state with ideal triangular pyramid C3v geometry. Equilibrium geometries, vibrational frequencies, binding energies, electron affinities, ionization energies, and other properties of Ga 3Sn and GaSn 3 are computed and discussed. The anion photoelectron spectra of Ga 3Sn - and GaSn 3- are also predicted. It is interesting to find that the amount of charge transfer between Ga and Sn 2 atoms in the 1A 1 state of GaSn 3+ greatly increases upon electron ionization from the 2A 1 state of GaSn 3, which may be caused by large geometry change. On the other hand, the results of the low-lying states of Ga 3Sn and GaSn 3 are compared with those of Ga 3Si and GaSi 3.

Unraveling nonadiabatic ionization and Coulomb potential effect in strong-field photoelectron holography.

PubMed

Song, Xiaohong; Lin, Cheng; Sheng, Zhihao; Liu, Peng; Chen, Zhangjin; Yang, Weifeng; Hu, Shilin; Lin, C D; Chen, Jing

2016-06-22

Strong field photoelectron holography has been proposed as a means for interrogating the spatial and temporal information of electrons and ions in a dynamic system. After ionization, part of the electron wave packet may directly go to the detector (the reference wave), while another part may be driven back and scatters off the ion(the signal wave). The interference hologram of the two waves may be used to extract target information embedded in the collision process. Unlike conventional optical holography, however, propagation of the electron wave packet is affected by the Coulomb potential as well as by the laser field. In addition, electrons are emitted over the whole laser pulse duration, thus multiple interferences may occur. In this work, we used a generalized quantum-trajectory Monte Carlo method to investigate the effect of Coulomb potential and the nonadiabatic subcycle ionization on the photoelectron hologram. We showed that photoelectron hologram can be well described only when the effect of nonadiabatic ionization is accounted for, and Coulomb potential can be neglected only in the tunnel ionization regime. Our results help paving the way for establishing photoelectron holography for probing spatial and dynamic properties of atoms and molecules.

Unraveling nonadiabatic ionization and Coulomb potential effect in strong-field photoelectron holography

PubMed Central

Song, Xiaohong; Lin, Cheng; Sheng, Zhihao; Liu, Peng; Chen, Zhangjin; Yang, Weifeng; Hu, Shilin; Lin, C. D.; Chen, Jing

2016-01-01

Strong field photoelectron holography has been proposed as a means for interrogating the spatial and temporal information of electrons and ions in a dynamic system. After ionization, part of the electron wave packet may directly go to the detector (the reference wave), while another part may be driven back and scatters off the ion(the signal wave). The interference hologram of the two waves may be used to extract target information embedded in the collision process. Unlike conventional optical holography, however, propagation of the electron wave packet is affected by the Coulomb potential as well as by the laser field. In addition, electrons are emitted over the whole laser pulse duration, thus multiple interferences may occur. In this work, we used a generalized quantum-trajectory Monte Carlo method to investigate the effect of Coulomb potential and the nonadiabatic subcycle ionization on the photoelectron hologram. We showed that photoelectron hologram can be well described only when the effect of nonadiabatic ionization is accounted for, and Coulomb potential can be neglected only in the tunnel ionization regime. Our results help paving the way for establishing photoelectron holography for probing spatial and dynamic properties of atoms and molecules. PMID:27329071

Unraveling nonadiabatic ionization and Coulomb potential effect in strong-field photoelectron holography

DOE PAGES

Song, Xiaohong; Lin, Cheng; Sheng, Zhihao; ...

2016-06-22

Strong field photoelectron holography has been proposed as a means for interrogating the spatial and temporal information of electrons and ions in a dynamic system. After ionization, part of the electron wave packet may directly go to the detector (the reference wave), while another part may be driven back and scatters off the ion(the signal wave). The interference hologram of the two waves may be used to extract target information embedded in the collision process. Unlike conventional optical holography, however, propagation of the electron wave packet is affected by the Coulomb potential as well as by the laser field. Inmore » addition, electrons are emitted over the whole laser pulse duration, thus multiple interferences may occur. In this work, we used a generalized quantum-trajectory Monte Carlo method to investigate the effect of Coulomb potential and the nonadiabatic subcycle ionization on the photoelectron hologram. Here, we showed that photoelectron hologram can be well described only when the effect of nonadiabatic ionization is accounted for, and Coulomb potential can be neglected only in the tunnel ionization regime. Our results help paving the way for establishing photoelectron holography for probing spatial and dynamic properties of atoms and molecules.« less

Proton and Electron Threshold Energy Measurements for Extravehicular Activity Space Suits. Chapter 2

NASA Technical Reports Server (NTRS)

Moyers, M. F.; Nelson, G. D.; Saganti, P. B.

2003-01-01

Construction of ISS will require more than 1000 hours of EVA. Outside of ISS during EVA, astronauts and cosmonauts are likely to be exposed to a large fluence of electrons and protons. Development of radiation protection guidelines requires the determination of the minimum energy of electrons and protons that penetrate the suits at various locations. Measurements of the water-equivalent thickness of both US. and Russian EVA suits were obtained by performing CT scans. Specific regions of interest of the suits were further evaluated using a differential range shift technique. This technique involved measuring thickness ionization curves for 6-MeV electron and 155-MeV proton beams with ionization chambers using a constant source-to-detector distance. The thicknesses were obtained by stacking polystyrene slabs immediately upstream of the detector. The thicknesses of the 50% ionizations relative to the maximum ionizations were determined. The detectors were then placed within the suit and the stack thickness adjusted until the 50% ionization was reestablished. The difference in thickness between the 50% thicknesses was then used with standard range-energy tables to determine the threshold energy for penetration. This report provides a detailed description of the experimental arrangement and results.

Interatomic relaxation processes induced in neon dimers by electron-impact ionization

NASA Astrophysics Data System (ADS)

Yan, S.; Zhang, P.; Stumpf, V.; Gokhberg, K.; Zhang, X. C.; Xu, S.; Li, B.; Shen, L. L.; Zhu, X. L.; Feng, W. T.; Zhang, S. F.; Zhao, D. M.; Ma, X.

2018-01-01

We report an experimental observation of the interatomic Coulombic decay (ICD) and radiative charge-transfer (RCT) processes in a Ne dimer (e ,2 e ) following a 380-eV electron impact. By detecting the N e+-N e+ cation pair and one of the emitted electrons in coincidence, the fingerprint of the ICD process initiated by the inner-valence ionization of Ne is obtained. Furthermore, the experimental results and ab initio calculations together unambiguously confirm the occurrence of the RCT process, and we show that most of the low-energy electrons produced in ionization of the Ne dimers are due to the ICD, which strongly suggests the importance of the ICD in causing radiation damage in a biological medium.

Rings in above-threshold ionization: A quasiclassical analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lewenstein, M.; Kulander, K.C.; Schafer, K.J.

1995-02-01

A generalized strong-field approximation is formulated to describe atoms interacting with intense laser fields. We apply it to determine angular distributions of electrons in above-threshold ionization (ATI). The theory treats the effects of an electron rescattering from its parent ion core in a systematic perturbation series. Probability amplitudes for ionization are interpreted in terms of quasiclassical electron trajectories. We demonstrate that contributions from the direct tunneling processes in the absence of rescattering are not sufficient to describe the observed ATI spectra. We show that the high-energy portion of the spectrum, including recently discovered rings (i.e., complex features in the angularmore » distributions of outgoing electrons) are due to rescattering processes. We compare our quasiclassical results with exact numerical solutions.« less

A singly charged ion source for radioactive {sup 11}C ion acceleration

DOE Office of Scientific and Technical Information (OSTI.GOV)

Katagiri, K.; Noda, A.; Nagatsu, K.

2016-02-15

A new singly charged ion source using electron impact ionization has been developed to realize an isotope separation on-line system for simultaneous positron emission tomography imaging and heavy-ion cancer therapy using radioactive {sup 11}C ion beams. Low-energy electron beams are used in the electron impact ion source to produce singly charged ions. Ionization efficiency was calculated in order to decide the geometric parameters of the ion source and to determine the required electron emission current for obtaining high ionization efficiency. Based on these considerations, the singly charged ion source was designed and fabricated. In testing, the fabricated ion source wasmore » found to have favorable performance as a singly charged ion source.« less

Phase-dependent above-barrier ionization of excited-state electrons.

PubMed

Yang, Weifeng; Song, Xiaohong; Chen, Zhangjin

2012-05-21

The carrier-envelope phase (CEP)-dependent above-barrier ionization (ABI) has been investigated in order to probe the bound-state electron dynamics. It is found that when the system is initially prepared in the excited state, the ionization yield asymmetry between left and right sides can occur both in low-energy and high-energy parts of the photoelectron spectra. Moreover, in electron momentum map, a new interference effect along the direction perpendicular to the laser polarization is found. We show that this interference is related to the competition among different excited states. The interference effect is dependent on CEPs of few-cycle probe pulses, which can be used to trace the superposition information and control the electron wave packet of low excited states.

Propagation of a laser-driven relativistic electron beam inside a solid dielectric.

PubMed

Sarkisov, G S; Ivanov, V V; Leblanc, P; Sentoku, Y; Yates, K; Wiewior, P; Chalyy, O; Astanovitskiy, A; Bychenkov, V Yu; Jobe, D; Spielman, R B

2012-09-01

Laser probe diagnostics: shadowgraphy, interferometry, and polarimetry were used for a comprehensive characterization of ionization wave dynamics inside a glass target induced by a laser-driven, relativistic electron beam. Experiments were done using the 50-TW Leopard laser at the University of Nevada, Reno. We show that for a laser flux of ∼2 × 10(18) W/cm2 a hemispherical ionization wave propagates at c/3 for 10 ps and has a smooth electron-density distribution. The maximum free-electron density inside the glass target is ∼2 × 10(19) cm-3, which corresponds to an ionization level of ∼0.1%. Magnetic fields and electric fields do not exceed ∼15 kG and ∼1 MV/cm, respectively. The electron temperature has a hot, ringlike structure with a maximum of ∼0.7 eV. The topology of the interference phase shift shows the signature of the "fountain effect", a narrow electron beam that fans out from the propagation axis and heads back to the target surface. Two-dimensional particle-in-cell (PIC) computer simulations demonstrate radial spreading of fast electrons by self-consistent electrostatic fields driven by laser. The very low ionization observed after the laser heating pulse suggests a fast recombination on the sub-ps time scale.

Inclusion of orbital relaxation and correlation through the unitary group adapted open shell coupled cluster theory using non-relativistic and scalar relativistic Hamiltonians to study the core ionization potential of molecules containing light to medium-heavy elements

NASA Astrophysics Data System (ADS)

Sen, Sangita; Shee, Avijit; Mukherjee, Debashis

2018-02-01

The orbital relaxation attendant on ionization is particularly important for the core electron ionization potential (core IP) of molecules. The Unitary Group Adapted State Universal Coupled Cluster (UGA-SUMRCC) theory, recently formulated and implemented by Sen et al. [J. Chem. Phys. 137, 074104 (2012)], is very effective in capturing orbital relaxation accompanying ionization or excitation of both the core and the valence electrons [S. Sen et al., Mol. Phys. 111, 2625 (2013); A. Shee et al., J. Chem. Theory Comput. 9, 2573 (2013)] while preserving the spin-symmetry of the target states and using the neutral closed-shell spatial orbitals of the ground state. Our Ansatz invokes a normal-ordered exponential representation of spin-free cluster-operators. The orbital relaxation induced by a specific set of cluster operators in our Ansatz is good enough to eliminate the need for different sets of orbitals for the ground and the core-ionized states. We call the single configuration state function (CSF) limit of this theory the Unitary Group Adapted Open-Shell Coupled Cluster (UGA-OSCC) theory. The aim of this paper is to comprehensively explore the efficacy of our Ansatz to describe orbital relaxation, using both theoretical analysis and numerical performance. Whenever warranted, we also make appropriate comparisons with other coupled-cluster theories. A physically motivated truncation of the chains of spin-free T-operators is also made possible by the normal-ordering, and the operational resemblance to single reference coupled-cluster theory allows easy implementation. Our test case is the prediction of the 1s core IP of molecules containing a single light- to medium-heavy nucleus and thus, in addition to demonstrating the orbital relaxation, we have addressed the scalar relativistic effects on the accuracy of the IPs by using a hierarchy of spin-free Hamiltonians in conjunction with our theory. Additionally, the contribution of the spin-free component of the two-electron Gaunt term, not usually taken into consideration, has been estimated at the Self-Consistent Field (ΔSCF) level and is found to become increasingly important and eventually quite prominent for molecules with third period atoms and below. The accuracies of the IPs computed using UGA-OSCC are found to be of the same order as the Coupled Cluster Singles Doubles (ΔCCSD) values while being free from spin contamination. Since the UGA-OSCC uses a common set of orbitals for the ground state and the ion, it obviates the need of two N5 AO to MO transformation in contrast to the ΔCCSD method.

Inclusion of orbital relaxation and correlation through the unitary group adapted open shell coupled cluster theory using non-relativistic and scalar relativistic Hamiltonians to study the core ionization potential of molecules containing light to medium-heavy elements.

PubMed

Sen, Sangita; Shee, Avijit; Mukherjee, Debashis

2018-02-07

The orbital relaxation attendant on ionization is particularly important for the core electron ionization potential (core IP) of molecules. The Unitary Group Adapted State Universal Coupled Cluster (UGA-SUMRCC) theory, recently formulated and implemented by Sen et al. [J. Chem. Phys. 137, 074104 (2012)], is very effective in capturing orbital relaxation accompanying ionization or excitation of both the core and the valence electrons [S. Sen et al., Mol. Phys. 111, 2625 (2013); A. Shee et al., J. Chem. Theory Comput. 9, 2573 (2013)] while preserving the spin-symmetry of the target states and using the neutral closed-shell spatial orbitals of the ground state. Our Ansatz invokes a normal-ordered exponential representation of spin-free cluster-operators. The orbital relaxation induced by a specific set of cluster operators in our Ansatz is good enough to eliminate the need for different sets of orbitals for the ground and the core-ionized states. We call the single configuration state function (CSF) limit of this theory the Unitary Group Adapted Open-Shell Coupled Cluster (UGA-OSCC) theory. The aim of this paper is to comprehensively explore the efficacy of our Ansatz to describe orbital relaxation, using both theoretical analysis and numerical performance. Whenever warranted, we also make appropriate comparisons with other coupled-cluster theories. A physically motivated truncation of the chains of spin-free T-operators is also made possible by the normal-ordering, and the operational resemblance to single reference coupled-cluster theory allows easy implementation. Our test case is the prediction of the 1s core IP of molecules containing a single light- to medium-heavy nucleus and thus, in addition to demonstrating the orbital relaxation, we have addressed the scalar relativistic effects on the accuracy of the IPs by using a hierarchy of spin-free Hamiltonians in conjunction with our theory. Additionally, the contribution of the spin-free component of the two-electron Gaunt term, not usually taken into consideration, has been estimated at the Self-Consistent Field (ΔSCF) level and is found to become increasingly important and eventually quite prominent for molecules with third period atoms and below. The accuracies of the IPs computed using UGA-OSCC are found to be of the same order as the Coupled Cluster Singles Doubles (ΔCCSD) values while being free from spin contamination. Since the UGA-OSCC uses a common set of orbitals for the ground state and the ion, it obviates the need of two N 5 AO to MO transformation in contrast to the ΔCCSD method.

Electron ionization and dissociation of aliphatic amino acids

NASA Astrophysics Data System (ADS)

Papp, P.; Shchukin, P.; Kočíšek, J.; Matejčík, Š.

2012-09-01

We present experimental and theoretical study of electron ionization and dissociative ionization to the gas phase amino acids valine, leucine, and isoleucine. A crossed electron/molecular beams technique equipped with quadrupole mass analyzer has been applied to measure mass spectra and ion efficiency curves for formation of particular ions. From experimental data the ionization energies of the molecules and the appearance energies of the fragment ions were determined. Ab initio calculations (Density Functional Theory and G3MP2 methods) were performed in order to calculate the fragmentation paths and interpret the experimental data. The experimental ionization energies of parent molecules [P]+ 8.91 ± 0.05, 8.85 ± 0.05, and 8.79 ± 0.05 eV and G3MP2 ionization energies (adiabatic) of 8.89, 8.88, and 8.81 eV were determined for valine, leucine, and isoleucine, respectively, as well as the experimental and theoretical threshold energies for dissociative ionization channels. The comparison of experimental data with calculations resulted in identification of the ions as well as the neutral fragments formed in the dissociative reactions. Around 15 mass/charge ratio fragments were identified from the mass spectra by comparison of experimental appearance energies with calculated reaction enthalpies for particular dissociative reactions.

Observation of anisotropic interactions between metastable atoms and target molecules by two-dimensional collisional ionization electron spectroscopy

NASA Astrophysics Data System (ADS)

Kishimoto, Naoki; Ohno, Koichi

Excited metastable atoms colliding with target molecules can sensitively probe outer properties of molecules by chemi-ionization (Penning ionization) from molecular orbitals in the outer region, since metastable atoms cannot penetrate into the repulsive interaction wall around the molecules. By means of two-dimensional measurements using kinetic energy analysis of electrons combined with a velocity-resolved metastable beam, one can obtain information on the anisotropic interaction between the colliding particles without any control of orientation or alignment of target molecules. We have developed a classical trajectory method to calculate the collision energy dependence of partial ionization cross-sections (CEDPICS) on the anisotropic interaction potential energy surface, which has enabled us to study stereodynamics between metastable atoms and target molecules as well as the spatial distribution of molecular orbitals and electron ejection functions which have a relation with entrance and exit channels of the reaction. Based on the individual CEDPICS, the electronic structure of molecules can also be elucidated.

Ground Levels and Ionization Energies for the Neutral Atoms

National Institute of Standards and Technology Data Gateway

SRD 111 Ground Levels and Ionization Energies for the Neutral Atoms (Web, free access)   Data for ground state electron configurations and ionization energies for the neutral atoms (Z = 1-104) including references.

Nonequilibrium evolution of strong-field anisotropic ionized electrons towards a delayed plasma-state.

PubMed

Pasenow, B; Moloney, J V; Koch, S W; Chen, S H; Becker, A; Jaroń-Becker, A

2012-01-30

Rigorous quantum calculations of the femtosecond ionization of hydrogen atoms in air lead to highly anisotropic electron and ion angular (momentum) distributions. A quantum Monte-Carlo analysis of the subsequent many-body dynamics reveals two distinct relaxation steps, first to a nearly isotropic hot nonequilibrium and then to a quasi-equilibrium configuration. The collective isotropic plasma state is reached on a picosecond timescale well after the ultrashort ionizing pulse has passed.

Dopant-induced ignition of helium nanoplasmas—a mechanistic study

NASA Astrophysics Data System (ADS)

Heidenreich, Andreas; Schomas, Dominik; Mudrich, Marcel

2017-12-01

Helium (He) nanodroplets irradiated by intense near-infrared laser pulses form a nanoplasma by avalanche-like electron impact ionizations (EIIs) even at lower laser intensities where He is not directly field ionized, provided that the droplets contain a few dopant atoms which provide seed electrons for the EII avalanche. In this theoretical paper on calcium and xenon doped He droplets we elucidate the mechanism which induces ionization avalanches, termed ignition. We find that the partial loss of seed electrons from the activated droplets starkly assists ignition, as the Coulomb barrier for ionization of helium is lowered by the electric field of the dopant cations, and this deshielding of the cation charges enhances their electric field. In addition, the dopant ions assist the acceleration of the seed electrons (slingshot effect) by the laser field, supporting EIIs of He and also causing electron loss by catapulting electrons away. The dopants’ ability to lower the Coulomb barriers at He as well as the slingshot effect decrease with the spatial expansion of the dopant, causing a dependence of the dopants’ ignition capability on the dopant mass. Here, we develop criteria (impact count functions) to assess the ignition capability of dopants, based on (i) the spatial overlap of the seed electron cloud with the He atoms and (ii) the overlap of their kinetic energy distribution with the distribution of Coulomb barrier heights at He. The relatively long time delays between the instants of dopant ionization and ignition (incubation times) for calcium doped droplets are determined to a large extent by the time it takes to deshield the dopant ions.

Effects of ionizing energetic electrons and plasma transport in the ionosphere during the initial phase of the December 2006 magnetic storm

NASA Astrophysics Data System (ADS)

Suvorova, A. V.; Huang, C.-M.; Dmitriev, A. V.; Kunitsyn, V. E.; Andreeva, E. S.; Nesterov, I. A.; Klimenko, M. V.; Klimenko, V. V.; Tumanova, Yu. S.

2016-06-01

The initial phase of a major geomagnetic storm on 14 December 2006 was selected in order to investigate the ionizing effect of energetic electrons in the ionosphere. The global network of GPS receivers was used to analyze the total electron content (TEC). A strong positive ionospheric storm of ~20 TEC units (TECU) with ~6 h duration was observed on the dayside during the interval of northward interplanetary magnetic field. At the same time, the NOAA/POES satellites observed long-lasting intense fluxes of >30 keV electrons in the topside ionosphere at middle and low latitudes, including a near-equatorial forbidden zone outside of the South Atlantic Anomaly (SAA). We found that the TEC increases overlapped well with the enhancements of energetic electrons. Modeling of the ionospheric response by using a Global Self-consistent Model of the Thermosphere, Ionosphere, and Protonosphere, based on the standard mechanisms of plasma transport, could only partially explain the ionospheric response and was unable to predict the long-duration increase of TEC. For the energetic electrons, we estimated the ionizing effect of ~45 TECU and ~23 TECU in the topside ionosphere, respectively, inside and outside of SAA. The ionizing effect contributed from 50% to 100% of TEC increases and provided the long duration and wide latitudinal extension of the positive ionospheric storm. This finding is a very important argument in supporting significant ionizing effect of energetic electrons in the storm time ionosphere both at middle and low latitudes.

Temperature dependence of electron impact ionization coefficient in bulk silicon

NASA Astrophysics Data System (ADS)

Ahmed, Mowfaq Jalil

2017-09-01

This work exhibits a modified procedure to compute the electron impact ionization coefficient of silicon for temperatures between 77 and 800K and electric fields ranging from 70 to 400 kV/cm. The ionization coefficients are computed from the electron momentum distribution function through solving the Boltzmann transport equation (BTE). The arrangement is acquired by joining Legendre polynomial extension with BTE. The resulting BTE is solved by differences-differential method using MATLAB®. Six (X) equivalent ellipsoidal and non-parabolic valleys of the conduction band of silicon are taken into account. Concerning the scattering mechanisms, the interval acoustic scattering, non-polar optical scattering and II scattering are taken into consideration. This investigation showed that the ionization coefficients decrease with increasing temperature. The overall results are in good agreement with previous experimental and theoretical reported data predominantly at high electric fields.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Inhester, Ludger; Oostenrijk, Bart; Patanen, Minna

In many cases fragmentation of molecules upon inner-shell ionization is very unspecific with respect to the initially localized ionization site. Often this finding is interpreted in terms of an equilibration of internal energy into vibrational degrees of freedom after Auger decay. In this paper, we investigate the X-ray photofragmentation of ethyl trifluoroacetate upon core electron ionization at environmentally distinct carbon sites using photoelectron–photoion–photoion coincidence measurements and ab initio electronic structure calculations. For all four carbon ionization sites, the Auger decay weakens the same bonds and transfers the two charges to opposite ends of the molecule, which leads to a rapidmore » dissociation into three fragments, followed by further fragmentation steps. Finally, the lack of site specificity is attributed to the character of the dicationic electronic states after Auger decay instead of a fast equilibration of internal energy.« less

Accurate Cross Sections for Microanalysis.

PubMed

Rez, Peter

2002-01-01

To calculate the intensity of x-ray emission in electron beam microanalysis requires a knowledge of the energy distribution of the electrons in the solid, the energy variation of the ionization cross section of the relevant subshell, the fraction of ionizations events producing x rays of interest and the absorption coefficient of the x rays on the path to the detector. The theoretical predictions and experimental data available for ionization cross sections are limited mainly to K shells of a few elements. Results of systematic plane wave Born approximation calculations with exchange for K, L, and M shell ionization cross sections over the range of electron energies used in microanalysis are presented. Comparisons are made with experimental measurement for selected K shells and it is shown that the plane wave theory is not appropriate for overvoltages less than 2.5 V.

An evaluation of ionizing radiation emitted by high power microwave generators

NASA Astrophysics Data System (ADS)

Lovell, C. David; Bolch, W. Emmett

1992-02-01

Ionizing radiation emitted by electron-beam driven high power microwave (HPM) generators were measured in the near and far-field using lithium fluoride (LiF) thermoluminescent dosimeters (TLD's). Simplified photon energy spectra were determined by measuring radiation transmission, at electron beam energies of 300 to 650 keV, through various thicknesses of steel and lead attenuators. These data were used to calculate the effective energy of the x-rays produced by interactions between the electrons and the walls or other structures of the HPM generators. Operators were polled to determine locations of burn marks or other visible damage to locate potential ionizing radiation source regions.

Electronic-type vacuum gauges with replaceable elements

DOEpatents

Edwards, D. Jr.

1984-09-18

In electronic devices for measuring pressures in vacuum systems, the metal elements which undergo thermal deterioration are made readily replaceable by making them parts of a simple plug-in unit. Thus, in ionization gauges, the filament and grid or electron collector are mounted on the novel plug-in unit. In thermocouple pressure gauges, the heater and attached thermocouple are mounted on the plug-in unit. Plug-in units have been designed to function, alternatively, as ionization gauge and as thermocouple gauge, thus providing new gauges capable of measuring broader pressure ranges than is possible with either an ionization gauge or a thermocouple gauge. 5 figs.

Monte Carlo Simulations of Electron Energy-Loss Spectra with the Addition of Fine Structure from Density Functional Theory Calculations.

PubMed

Attarian Shandiz, Mohammad; Guinel, Maxime J-F; Ahmadi, Majid; Gauvin, Raynald

2016-02-01

A new approach is presented to introduce the fine structure of core-loss excitations into the electron energy-loss spectra of ionization edges by Monte Carlo simulations based on an optical oscillator model. The optical oscillator strength is refined using the calculated electron energy-loss near-edge structure by density functional theory calculations. This approach can predict the effects of multiple scattering and thickness on the fine structure of ionization edges. In addition, effects of the fitting range for background removal and the integration range under the ionization edge on signal-to-noise ratio are investigated.

Observation of correlated electronic decay in expanding clusters triggered by near-infrared fields

PubMed Central

Schütte, B.; Arbeiter, M.; Fennel, T.; Jabbari, G.; Kuleff, A.I.; Vrakking, M.J.J.; Rouzée, A.

2015-01-01

When an excited atom is embedded into an environment, novel relaxation pathways can emerge that are absent for isolated atoms. A well-known example is interatomic Coulombic decay, where an excited atom relaxes by transferring its excess energy to another atom in the environment, leading to its ionization. Such processes have been observed in clusters ionized by extreme-ultraviolet and X-ray lasers. Here, we report on a correlated electronic decay process that occurs following nanoplasma formation and Rydberg atom generation in the ionization of clusters by intense, non-resonant infrared laser fields. Relaxation of the Rydberg states and transfer of the available electronic energy to adjacent electrons in Rydberg states or quasifree electrons in the expanding nanoplasma leaves a distinct signature in the electron kinetic energy spectrum. These so far unobserved electron-correlation-driven energy transfer processes may play a significant role in the response of any nano-scale system to intense laser light. PMID:26469997

Inner-shell radiation from wire array implosions on the Zebra generator

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ouart, N. D.; Giuliani, J. L.; Dasgupta, A.

2014-03-15

Implosions of brass wire arrays on Zebra have produced L-shell radiation as well as inner-shell Kα and Kβ transitions. The L-shell radiation comes from ionization stages around the Ne-like charge state that is largely populated by a thermal electron energy distribution function, while the K-shell photons are a result of high-energy electrons ionizing or exciting an inner-shell (1s) electron from ionization stages around Ne-like. The K- and L-shell radiations were captured using two time-gated and two axially resolved time-integrated spectrometers. The electron beam was measured using a Faraday cup. A multi-zone non-local thermodynamic equilibrium pinch model with radiation transport ismore » used to model the x-ray emission from experiments for the purpose of obtaining plasma conditions. These plasma conditions are used to discuss some properties of the electron beam generated by runaway electrons. A simple model for runaway electrons is examined to produce the Kα radiation, but it is found to be insufficient.« less

Experimental and theoretical triple differential cross sections for electron-impact ionization of Ar (3p) for equal energy final state electrons

NASA Astrophysics Data System (ADS)

Amami, Sadek; Ozer, Zehra N.; Dogan, Mevlut; Yavuz, Murat; Varol, Onur; Madison, Don

2016-09-01

There have been several studies of electron-impact ionization of inert gases for asymmetric final state energy sharing and normally one electron has an energy significantly higher than the other. However, there have been relatively few studies examining equal energy final state electrons. Here we report experimental and theoretical triple differential cross sections for electron impact ionization of Ar (3p) for equal energy sharing of the outgoing electrons. Previous experimental results combined with some new measurements are compared with distorted wave born approximation (DWBA) results, DWBA results using the Ward-Macek (WM) approximation for the post collision interaction (PCI), and three-body distorted wave (3DW) which includes PCI without approximation. The results show that it is crucially important to include PCI in the calculation particularly for lower energies and that the WM approximation is valid only for high energies. The 3DW, on the other hand, is in reasonably good agreement with data down to fairly low energies.

On-top density functionals for the short-range dynamic correlation between electrons of opposite and parallel spin

NASA Astrophysics Data System (ADS)

Hollett, Joshua W.; Pegoretti, Nicholas

2018-04-01

Separate, one-parameter, on-top density functionals are derived for the short-range dynamic correlation between opposite and parallel-spin electrons, in which the electron-electron cusp is represented by an exponential function. The combination of both functionals is referred to as the Opposite-spin exponential-cusp and Fermi-hole correction (OF) functional. The two parameters of the OF functional are set by fitting the ionization energies and electron affinities, of the atoms He to Ar, predicted by ROHF in combination with the OF functional to the experimental values. For ionization energies, the overall performance of ROHF-OF is better than completely renormalized coupled-cluster [CR-CC(2,3)] and better than, or as good as, conventional density functional methods. For electron affinities, the overall performance of ROHF-OF is less impressive. However, for both ionization energies and electron affinities of third row atoms, the mean absolute error of ROHF-OF is only 3 kJ mol-1.

Electron reversal ionizer for detection of trace species using a spherical cathode

NASA Technical Reports Server (NTRS)

Boumsellek, Said (Inventor); Chutjian, Ara (Inventor)

1994-01-01

A reversal electron, high-current ionizer capable of focusing a beam of electrons to a reversal region employs an indirectly heated cathode having a concave emitting surface of width of W less than 2r, where r is the radius of curvature and preferably a ratio of width to radius approximately equal to one for optimum high current for a given cathode width.

Electron energy balance and ionization in the channel of a stationary plasma thruster

DOE Office of Scientific and Technical Information (OSTI.GOV)

Veselovzorov, A. N., E-mail: Veselovzorov-AN@nrcki.ru; Pogorelov, A. A.; Svirskiy, E. B.

2016-03-15

The paper presents results of numerical simulations of the electron dynamics in the field of the azimuthal and longitudinal waves excited in the channel of a stationary plasma thruster (SPT). The simulations are based on the experimentally determined wave characteristics. The simulation results show that the azimuthal wave displayed as ionization instability enhances electron transport along the thruster channel. It is established that the electron transport rate in the azimuthal wave increases as compared to the rate of diffusion caused by electron scattering from neutral atoms in proportion to the ratio between the times of electron− neutral collisions responsible formore » ionization and elastic electron scattering, respectively. An expression governing the plasma conductivity is derived with allowance for electron interaction with the azimuthal wave. The Hall parameter, the electron component of the discharge current, and the electron heating power in the thruster channel are calculated for two model SPTs operating with krypton and xenon. The simulation results agree well with the results of experimental studies of these two SPTs.« less

Theoretical study of geometry relaxation following core excitation: H2O, NH3, and CH4

NASA Astrophysics Data System (ADS)

Takahashi, Osamu; Kunitake, Naoto; Takaki, Saya

2015-10-01

Single core-hole (SCH) and double core-hole excited state molecular dynamics (MD) calculations for neutral and cationic H2O, NH3, and CH4 have been performed to examine geometry relaxation after core excitation. We observed faster X-H (X = C, N, O) bond elongation for the core-ionized state produced from the valence cationic molecule and the double-core-ionized state produced from the ground and valence cationic molecules than for the first resonant SCH state. Using the results of SCH MD simulations of the ground and valence cationic molecules, Auger decay spectra calculations were performed. We found that fast bond scission leads to peak broadening of the spectra.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Singh, Suvam; Naghma, Rahla; Kaur, Jaspreet

The total and ionization cross sections for electron scattering by benzene, halobenzenes, toluene, aniline, and phenol are reported over a wide energy domain. The multi-scattering centre spherical complex optical potential method has been employed to find the total elastic and inelastic cross sections. The total ionization cross section is estimated from total inelastic cross section using the complex scattering potential-ionization contribution method. In the present article, the first theoretical calculations for electron impact total and ionization cross section have been performed for most of the targets having numerous practical applications. A reasonable agreement is obtained compared to existing experimental observationsmore » for all the targets reported here, especially for the total cross section.« less

Electron propagator calculations on the ionization energies of CrH -, MnH - and FeH -

NASA Astrophysics Data System (ADS)

Lin, Jyh-Shing; Ortiz, J. V.

1990-08-01

Electron propagator calculations with unrestricted Hartree-Fock reference states yield the ionization energies of the title anions. Spin contamination in the anionic reference state is small, enabling the use of second-and third-order self-energies in the Dyson equation. Feynman-Dyson amplitudes for these ionizations are essentially identical to canonical spin-orbitals. For most of the final states, these consist of an antibonding combination of an sp metal hybrid, polarized away from the hydrogen, and hydroegen s functions. In one case, the Feynman-Dyson amplitude consists of nonbonding d functions. Calculated ionization energies are within 0.5 eV of experiment.

Analyses of electron runaway in front of the negative streamer channel

NASA Astrophysics Data System (ADS)

Babich, L. P.; Bochkov, E. I.; Kutsyk, I. M.; Neubert, T.; Chanrion, O.

2017-08-01

X-ray and γ-ray emissions, observed in correlation with negative leaders of lightning and long sparks of high-voltage laboratory experiments, are conventionally connected with the bremsstrahlung of high-energy runaway electrons (REs). Here we extend a focusing mechanism, analyzed in our previous paper, which allows the electric field to reach magnitudes, required for a generation of significant RE fluxes and associated bremsstrahlung, when the ionization wave propagates in a narrow, ionized channel created by a previous streamer. Under such conditions we compute the production rate of REs per unit streamer length as a function of the streamer velocity and predict that, once a streamer is formed with the electric field capable of producing REs ahead of the streamer front, the ionization induced by the REs is capable of creating an ionized channel that allows for self-sustained propagation of the RE-emitting ionization wave independent of the initial electron concentration. Thus, the streamer coronas of the leaders are probable sources of REs producing the observed high-energy radiation. To prove these predictions, new simulations are planned, which would show explicitly that the preionization in front of the channel via REs will lead to the ionization wave propagation self-consistent with RE generation.

Study on the influences of ionization region material arrangement on Hall thruster channel discharge characteristics

NASA Astrophysics Data System (ADS)

Xiang, HU; Ping, DUAN; Jilei, SONG; Wenqing, LI; Long, CHEN; Xingyu, BIAN

2018-02-01

There exists strong interaction between the plasma and channel wall in the Hall thruster, which greatly affects the discharge performance of the thruster. In this paper, a two-dimensional physical model is established based on the actual size of an Aton P70 Hall thruster discharge channel. The particle-in-cell simulation method is applied to study the influences of segmented low emissive graphite electrode biased with anode voltage on the discharge characteristics of the Hall thruster channel. The influences of segmented electrode placed at the ionization region on electric potential, ion number density, electron temperature, ionization rate, discharge current and specific impulse are discussed. The results show that, when segmented electrode is placed at the ionization region, the axial length of the acceleration region is shortened, the equipotential lines tend to be vertical with wall at the acceleration region, thus radial velocity of ions is reduced along with the wall corrosion. The axial position of the maximal electron temperature moves towards the exit with the expansion of ionization region. Furthermore, the electron-wall collision frequency and ionization rate also increase, the discharge current decreases and the specific impulse of the Hall thruster is slightly enhanced.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aydinol, M., E-mail: aydinolm@dicle.edu.tr; Aydeniz, D., E-mail: daydeniz@hotmail.com

L shell ionization cross section and {sub Li} subshells ionization cross sections of Os, Pt, Hg, Pb, Po atoms calculated. For each atom, ten different electron impacty energy values E{sub oi} used. Calculations carried out by using nonrelativistic Lotz equation in Matlab. Ionization cross section values obtained for Eoi values in the energy range of E{sub Li} ≤E{sub oi}≤4E{sub Li} for each atom. Starting allmost from E{sub oi} = E{sub Li} (i = 1,2,3) values of the each subshell ionization threshold energy, ionization cross section are increasing rapidly with E{sub oi}. For a fixed E{sub oi} = 3. E{sub Li}more » values, while Z increases from Z = 76 to Z = 84, ionization cross section are decrease. These results help to understand some results which obtained from other electron-sigle atom impact studies on σ{sub Li} subshells.« less

Characterization of a gated fiber-optic-coupled detector for application in clinical electron beam dosimetry

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tanyi, James A.; Nitzling, Kevin D.; Lodwick, Camille J.

2011-02-15

Purpose: Assessment of the fundamental dosimetric characteristics of a novel gated fiber-optic-coupled dosimetry system for clinical electron beam irradiation. Methods: The response of fiber-optic-coupled dosimetry system to clinical electron beam, with nominal energy range of 6-20 MeV, was evaluated for reproducibility, linearity, and output dependence on dose rate, dose per pulse, energy, and field size. The validity of the detector system's response was assessed in correspondence with a reference ionization chamber. Results: The fiber-optic-coupled dosimetry system showed little dependence to dose rate variations (coefficient of variation {+-}0.37%) and dose per pulse changes (with 0.54% of reference chamber measurements). The reproducibilitymore » of the system was {+-}0.55% for dose fractions of {approx}100 cGy. Energy dependence was within {+-}1.67% relative to the reference ionization chamber for the 6-20 MeV nominal electron beam energy range. The system exhibited excellent linear response (R{sup 2}=1.000) compared to reference ionization chamber in the dose range of 1-1000 cGy. The output factors were within {+-}0.54% of the corresponding reference ionization chamber measurements. Conclusions: The dosimetric properties of the gated fiber-optic-coupled dosimetry system compare favorably to the corresponding reference ionization chamber measurements and show considerable potential for applications in clinical electron beam radiotherapy.« less

Vibrational and Electronic Energy Transfer and Dissociation of Diatomic Molecules by Electron Collisions

NASA Technical Reports Server (NTRS)

Huo, Winifred M.; Langhoff, Stephen R. (Technical Monitor)

1995-01-01

At high altitudes and velocities equal to or greater than the geosynchronous return velocity (10 kilometers per second), the shock layer of a hypersonic flight will be in thermochemical nonequilibrium and partially ionized. The amount of ionization is determined by the velocity. For a trans atmospheric flight of 10 kilometers per second and at an altitude of 80 kilometers, a maximum of 1% ionization is expected. At a velocity of 12 - 17 kilometer per second, such as a Mars return mission, up to 30% of the atoms and molecules in the flow field will be ionized. Under those circumstances, electrons play an important role in determining the internal states of atoms and molecules in the flow field and hence the amount of radiative heat load and the distance it takes for the flow field to re-establish equilibrium. Electron collisions provide an effective means of transferring energy even when the electron number density is as low as 1%. Because the mass of an electron is 12,760 times smaller than the reduced mass of N2, its average speed, and hence its average collision frequency, is more than 100 times larger. Even in the slightly ionized regime with only 1% electrons, the frequency of electron-molecule collisions is equal to or larger than that of molecule-molecule collisions, an important consideration in the low density part of the atmosphere. Three electron-molecule collision processes relevant to hypersonic flows will be considered: (1) vibrational excitation/de-excitation of a diatomic molecule by electron impact, (2) electronic excitation/de-excitation, and (3) dissociative recombination in electron-diatomic ion collisions. A review of available data, both theory and experiment, will be given. Particular attention will be paid to tailoring the molecular physics to the condition of hypersonic flows. For example, the high rotational temperatures in a hypersonic flow field means that most experimental data carried out under room temperatures are not applicable. Also, the average electron temperature is expected to be between 10,000 and 20,000 K. Thus only data for low energy electrons are relevant to the model.

New Technique for Barium Daughter Ion Identification in a Liquid Xe-136 Double Beta Decay Experiment

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fairbank, William

2016-06-08

This work addresses long-standing issues of fundamental interest in elementary particle physics. The most important outcome of this work is a new limit on neutrinoless double beta decay. This is an extremely rare and long-sought-after type of radioactive decay. If discovered, it would require changes in the standard model of the elementary constituents of matter, and would prove that neutrinos and antineutrinos are the same, a revolutionary concept in particle physics. Neutrinos are major components of the matter in the universe that are so small and so weakly interacting with other matter that their masses have not yet been discovered.more » A discovery of neutrinoless double beta decay could help determine the neutrino masses. An important outcome of the work on this project was the Colorado State University role in operating the EXO-200 neutrinoless double beta decay experiment and in analysis of the data from this experiment. One type of double beta decay of the isotope 136Xe, the two-neutrino variety, was discovered in this work. Although the other type of double beta decay, the neutrinoless variety, was not yet discovered in this work, a world’s best sensitivity of 1.9x10 25 year half-life was obtained. This result rules out a previous claim of a positive result in a different isotope. This work also establishes that the masses of the neutrinos are less than one millionth of that of electrons. A unique EXO-200 analysis, in which the CSU group had a leading role, has established for the first time ever in a liquid noble gas the fraction of daughter atoms from alpha and beta decay that are ionized. This result has important impact on other pending studies, including nucleon decay and barium tagging. Novel additional discoveries include multiphoton ionization of liquid xenon with UV pulsed lasers, which may find application in calibration of future noble liquid detectors, and studies of association and dissociation reactions of Ba + ions in gaseous xenon. Through this project, we are substantially closer to demonstrating “barium tagging”, i.e., detection of single daughter 136Ba atoms from 136Xe double beta decay. Milestones achieved include obtaining spectra of small numbers of Ba atoms and cryoprobe advances toward trapping single 136Ba atoms in solid xenon and probe extraction for detection. One of the other benefits to society is the training of six Ph.D. students in a variety of state-of-the-art technologies, half under primary support of this grant and half with partial support, with four finishing their Ph.D. degrees and two well on their way.« less

[The study on the characteristics and particle densities of lightning discharge plasma].

PubMed

Wang, Jie; Yuan, Ping; Zhang, Hua-ming; Shen, Xiao-zhi

2008-09-01

According to the wavelengths, relative intensities and transition parameters of lines in cloud-to-ground lightning spectra obtained by a slit-less spectrograph in Qinghai province and Xizang municipality, and by theoretical calculations of plasma, the average temperature and electron density for individual lightning discharge channel were calculated, and then, using Saha equations, electric charge conservation equations and particle conservation equations, the particle densities of every ionized-state, the mass density, pressure and the average ionization degree were obtained. Moreover, the average ionization degree and characteristics of particle distributions in each lightning discharge channel were analyzed. Local thermodynamic equilibrium and an optically thin emitting gas were assumed in the calculations. The result shows that the characteristics of lightning discharge plasma have strong relationships with lightning intensities. For a certain return stroke channel, both temperatures and electron densities of different positions show tiny trend of falling away with increasing height along the discharge channel. Lightning channels are almost completely ionized, and the first ionized particles occupy the main station while N II has the highest particle density. On the other hand, the relative concentrations of N II and O II are near a constant in lightning channels with different intensities. Generally speaking, the more intense the lightning discharge, the higher are the values of channel temperature, electron density and relative concentrations of highly ionized particles, but the lower the concentration of the neutral atoms. After considering the Coulomb interactions between positive and negative particles in the calculations, the results of ionization energies decrease, and the particle densities of atoms and first ionized ions become low while high-ionized ions become high. At a temperature of 28000 K, the pressure of the discharge channel due to electrons, atoms and ions is about 10 atmospheric pressure, and it changes for different lightning stroke with different intensity. The mass density of channel is lower and changes from 0.01 to 0.1 compared to the mass density of air at standard temperature and pressure (STP).

Miniature Bipolar Electrostatic Ion Thruster

NASA Technical Reports Server (NTRS)

Hartley, Frank T.

2006-01-01

The figure presents a concept of a bipolar miniature electrostatic ion thruster for maneuvering a small spacecraft. The ionization device in the proposed thruster would be a 0.1-micron-thick dielectric membrane with metal electrodes on both sides. Small conical holes would be micromachined through the membrane and electrodes. An electric potential of the order of a volt applied between the membrane electrodes would give rise to an electric field of the order of several mega-volts per meter in the submicron gap between the electrodes. An electric field of this magnitude would be sufficient to ionize all the molecules that enter the holes. In a thruster-based on this concept, one or more propellant gases would be introduced into such a membrane ionizer. Unlike in larger prior ion thrusters, all of the propellant molecules would be ionized. This thruster would be capable of bipolar operation. There would be two accelerator grids - one located forward and one located aft of the membrane ionizer. In one mode of operation, which one could denote the forward mode, positive ions leaving the ionizer on the backside would be accelerated to high momentum by an electric field between the ionizer and an accelerator grid. Electrons leaving the ionizer on the front side would be ejected into free space by a smaller accelerating field. The equality of the ion and electron currents would eliminate the need for an additional electron- or ion-emitting device to keep the spacecraft charge-neutral. In another mode of operation, which could denote the reverse mode, the polarities of the voltages applied to the accelerator grids and to the electrodes of the membrane ionizer would be the reverse of those of the forward mode. The reversal of electric fields would cause the ion and electrons to be ejected in the reverse of their forward mode directions, thereby giving rise to thrust in the direction opposite that of the forward mode.

Triple differential cross sections for the electron-impact ionization of H{sub 2} molecules for equal and unequal outgoing electron energies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Colgan, J.; Al-Hagan, O.; Madison, D. H.

A comprehensive theoretical and experimental investigation of the triple differential cross sections arising from the electron-impact ionization of molecular hydrogen is made, at an incident electron energy of 35.4 eV, for cases where the outgoing electrons have equal and unequal energies, and for a range of experimental geometries. Generally, good agreement is found between two theoretical approaches and experiment, with the best agreement arising for intermediate geometries with large gun angles and for the perpendicular geometry.

Above-Threshold Ionization by an Elliptically Polarized Field: Quantum Tunneling Interferences and Classical Dodging

NASA Astrophysics Data System (ADS)

Paulus, G. G.; Zacher, F.; Walther, H.; Lohr, A.; Becker, W.; Kleber, M.

1998-01-01

Measurements of above-threshold ionization electron spectra in an elliptically polarized field as a function of the ellipticity are presented. In the rescattering regime, electron yields quickly drop with increasing ellipticity. The yields of lower-energy electrons rise again when circular polarization is approached. A classical explanation for these effects is provided. Additional local maxima in the yields of lower-energy electrons can be interpreted as being due to interferences of electron trajectories that tunnel out at different times within one cycle of the field.

Measurement of laser activated electron tunneling from semiconductor zinc oxide to adsorbed organic molecules by a matrix assisted laser desorption ionization mass spectrometer.

PubMed

Zhong, Hongying; Fu, Jieying; Wang, Xiaoli; Zheng, Shi

2012-06-04

Measurement of light induced heterogeneous electron transfer is important for understanding of fundamental processes involved in chemistry, physics and biology, which is still challenging by current techniques. Laser activated electron tunneling (LAET) from semiconductor metal oxides was observed and characterized by a MALDI (matrix assisted laser desorption ionization) mass spectrometer in this work. Nanoparticles of ZnO were placed on a MALDI sample plate. Free fatty acids and derivatives were used as models of organic compounds and directly deposited on the surface of ZnO nanoparticles. Irradiation of UV laser (λ=355 nm) with energy more than the band gap of ZnO produces ions that can be detected in negative mode. When TiO(2) nanoparticles with similar band gap but much lower electron mobility were used, these ions were not observed unless the voltage on the sample plate was increased. The experimental results indicate that laser induced electron tunneling is dependent on the electron mobility and the strength of the electric field. Capture of low energy electrons by charge-deficient atoms of adsorbed organic molecules causes unpaired electron-directed cleavages of chemical bonds in a nonergodic pathway. In positive detection mode, electron tunneling cannot be observed due to the reverse moving direction of electrons. It should be able to expect that laser desorption ionization mass spectrometry is a new technique capable of probing the dynamics of electron tunneling. LAET offers advantages as a new ionization dissociation method for mass spectrometry. Copyright © 2012 Elsevier B.V. All rights reserved.

Determination of equilibrium electron temperature and times using an electron swarm model with BOLSIG+ calculated collision frequencies and rate coefficients

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Pusateri, Elise N.; Morris, Heidi E.; Nelson, Eric M.; ...

2015-08-04

Electromagnetic pulse (EMP) events produce low-energy conduction electrons from Compton electron or photoelectron ionizations with air. It is important to understand how conduction electrons interact with air in order to accurately predict EMP evolution and propagation. An electron swarm model can be used to monitor the time evolution of conduction electrons in an environment characterized by electric field and pressure. Here a swarm model is developed that is based on the coupled ordinary differential equations (ODEs) described by Higgins et al. (1973), hereinafter HLO. The ODEs characterize the swarm electric field, electron temperature, electron number density, and drift velocity. Importantmore » swarm parameters, the momentum transfer collision frequency, energy transfer collision frequency, and ionization rate, are calculated and compared to the previously reported fitted functions given in HLO. These swarm parameters are found using BOLSIG+, a two term Boltzmann solver developed by Hagelaar and Pitchford (2005), which utilizes updated cross sections from the LXcat website created by Pancheshnyi et al. (2012). We validate the swarm model by comparing to experimental effective ionization coefficient data in Dutton (1975) and drift velocity data in Ruiz-Vargas et al. (2010). In addition, we report on electron equilibrium temperatures and times for a uniform electric field of 1 StatV/cm for atmospheric heights from 0 to 40 km. We show that the equilibrium temperature and time are sensitive to the modifications in the collision frequencies and ionization rate based on the updated electron interaction cross sections.« less